TCS Industry Limited

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Profile: TCS Industry Limited specializes in research and development of medicine, intermediate and raw materials. Our product line includes Pimobendan, Trilostane, Spironolactone, Dutasteride, Latanoprost, Finasteride, Calcitriol, Mycophenolate Mofetil and Lovastatin. We also offer Doxercalciferol, Clomifene Citrate, Levetiracetam, Vancomycin, Tamoxifen Citrate and Liothyronine Sodium. We synthesize active pharmaceutical ingredient (API) and intermediates from grams to tons.

Trilostane is an inhibitor of isoforms 3β-HSD and 3β-HSD2 of the enzyme 3β-hydroxysteroid dehydrogenase, which plays a role in adrenal steroid biosynthesis. This product serves as a useful tool in steroid biosynthesis research.

Pimobendan is used in the management of heart failure in dogs, most commonly caused by myxomatous mitral valve disease (also known as endocardiosis), or dilated cardiomyopathy. Research has shown that pimobendan increases survival time and improves quality of life in patients with congestive heart failure secondary to mitral valve disease when compared with benazepril, an angiotensin-converting-enzyme (ACE) inhibitor.

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• Almotriptan

IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 154323-57-6
Synonyms: Axert, Almogran, Almotriptan malate, Almotriptan (USAN), Spectrum_001884, Spectrum2_000498, Spectrum3_001006, Spectrum4_001134, Spectrum5_001554, BSPBio_002731, KBioGR_001647, KBioSS_002414, SPECTRUM1505204, SPBio_000395, Almotriptan [USAN:INN:BAN], C17H27N3O2S, KBio2_002408, KBio2_004976, KBio2_007544, KBio3_001951

Molecular Formula:	C₁₇H₂₅N₃O₂S	Molecular Weight:	335.464300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: WKEMJKQOLOHJLZ-UHFFFAOYSA-N

• Alprostadil

IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 745-65-3
Synonyms: alprostadil, Prostaglandin E1, Befar, Prostandin, Prostavasin, Caverject, Topiglan, Femprox, Sugiran, Viridal, Alista, Prink, Edex, Muse, FemLife, Prostin VR, Alprox-TD, PGE1, PGE1 Oligomer, Befar (TN)

Molecular Formula:	C₂₀H₃₄O₅	Molecular Weight:	354.480960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N

• Amlodipine

IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 88150-42-9
Synonyms: amlodipine, Norvasc, Amlocard, Amlodis, Coroval, Lipinox, Lotrel, Exforge, Amlodipinum [Latin], Mixture Name, Amlodipino [Spanish], Amlodipine besilate, AMLODIPINE BASE, Amlodipine (INN), Norvasc (TN), Amlodipine Free Base, Ambap6294, Amlodipine [INN:BAN], Spectrum2_000486, Spectrum3_001004

Molecular Formula:	C₂₀H₂₅ClN₂O₅	Molecular Weight:	408.875900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

• Atomoxetine HCL

IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride | CAS Registry Number: 82248-59-7
Synonyms: Strattera, Atomoxetine hydrochloride, Strattera (TN), TOMOXETINE HYDROCHLORIDE, Ambap5639, C17H21NO.HCl, (R)-Tomoxetine hydrochloride, MLS001401377, MLS002153176, Atomoxetine hydrochloride [USAN], (R)-(-)-Tomoxetine hydrochloride, LY-139602 [(+)-isomer], Atomoxetine hydrochloride (JAN/USAN), tomoxetine hydrochloride, (-)-isomer, CPD000469177, LY139603, SAM001246626, SMR000469177, LS-177676, LY 139603

Molecular Formula:	C₁₇H₂₂ClNO	Molecular Weight:	291.815680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N

• Bosentan

IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide hydrate | CAS Registry Number: 157212-55-0
Synonyms: Bosentan hydrate, Tracleer, Tracleer (TN), Bosentan (USAN), Bosentan [USAN], Bosentan hydrate (JAN), CHEBI:31300, TL8001188, D01227, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate

Molecular Formula:	C₂₇H₃₁N₅O₇S	Molecular Weight:	569.629340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	12

InChIKey: SXTRWVVIEPWAKM-UHFFFAOYSA-N

• Calcitriol

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 32222-06-3
Synonyms: calcitriol, Rocaltrol, Calcijex, Topitriol, Soltriol, Vectical, Asentar, Silkis, vit D, Rocaltrol (TN), Dihydroxyvitamin D3, 1,25-Dihydroxyvitamin D, Ambap3896, 1db1, 1alpha,25-Dihydroxyvitamin D3, Spectrum5_002061, Calcitriolum [INN-Latin], 1alpha,25(OH)2D3, 1,25-Dihydroxyvitamin D3, 1alpha,25(OH)2-D3

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

• Carvedilol

IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 72956-09-3
Synonyms: carvedilol, Coreg, Dilatrend, Eucardic, Artist, Kredex, Querto, Coropres, Coropress, Dimitone, Dibloc, Carvedilolum [Latin], Coreg CR, Artist (TN), Coreg (TN), Spectrum_001665, carvedilol, (R)-isomer, carvedilol, (S)-isomer, carvedilol, 14C-labeled, Roche brand of carvedilol

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

• Clomiphene Citrate

IUPAC Name: 2-[4-[(E)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 50-41-9
Synonyms: Serophene, Clomid, Clomifene citrate, Serophene (TN), Enclomiphene citrate, Prestwick_757, Clomid (TN), CLOMIPHENE CITRATE, trans-Clomifene citrate, trans-Clomiphene citrate, Clomiphene citrate (USP), Clomiphene citrate (Z,E), C26H28ClNO, Clomifene citrate (JP15), MLS000069760, (E)-isomer, citrate (1:1), SMR000058740, LS-157238, D00962, Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate, (E)-

Molecular Formula:	C₃₂H₃₆ClNO₈	Molecular Weight:	598.083140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: PYTMYKVIJXPNBD-BTKVJIOYSA-N

• Cyclosporine A

IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59865-13-3
Synonyms: cyclosporin A, cyclosporine, Ciclosporin, Cyclosporin, Sandimmune, Ramihyphin A, Sigmasporin, Consupren, Cyclokat, Mitogard, Neoplanta, Papilock, Pulminiq, Restasis, Sandimmun, Equoral, Gengraf, Vekacia, Neoral, Consupren S

Molecular Formula:	C₆₂H₁₁₁N₁₁O₁₂	Molecular Weight:	1202.611240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

• Doxercalciferol

IUPAC Name: (1S,3S,4E)-4-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-methylidenecyclohexane-1,3-diol | CAS Registry Number: 54573-75-0
Synonyms: Hectorol, doxacalciferol, 1alpha-OHD2, 1-Hydroxyergocalciferol, 1alpha(OH)2D2, 1alpha-hydroxyvitamin D2, 1-alpha-Hydroxyvitamin D2, 1alpha-Hydroxyergocalciferol, 1 alpha-hydroxyergocalciferol, TSA 840, BRN 4716774, Draxis brand of 1 alpha-hydroxyergocalciferol, Bone Care brand of 1 alpha-hydroxyergocalciferol, C042533, 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-, 125285-48-5, 87649-67-0

Molecular Formula:	C₂₈H₄₄O₂	Molecular Weight:	412.647760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DAQLPCKTVQWADC-MEVDWTRGSA-N

• Everolimus

Synonyms: Certican, Afinitor, Everolimus [USAN], SDZ-RAD, RAD001, NVP-RAD-001, RAD 001, RAD-001C, 42-O-(2-Hydroxyethyl)rapamycin, RAD-001, Rapamycin, 42-O-(2-hydroxyethyl)-, 42-O-(2-Hydroxy)ethyl rapamycin, NCGC00167512-01, LS-143292, (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone, RAD, (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.0(sup 4,9))hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

Molecular Formula:	C₅₃H₈₃NO₁₄	Molecular Weight:	958.224420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	14

InChIKey: HKVAMNSJSFKALM-GKUWKFKPSA-N

• Febuxostat

IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 144060-53-7
Synonyms: Adenuric, Uloric, Febuxostat [USAN], Tei-6720, Tei 6720, TMX 67, TMX-67, Febuxostat (JAN/USAN/INN), C16H16N2O3S, CID134018, LS-173202, D01206, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, TEI

Molecular Formula:	C₁₆H₁₆N₂O₃S	Molecular Weight:	316.374840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BQSJTQLCZDPROO-UHFFFAOYSA-N

• Ganciclovir

IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one | CAS Registry Number: 82410-32-0
Synonyms: ganciclovir, Cytovene, Vitrasert, Gancyclovir, Hydroxyacyclovir, Citovirax, Cymevene, DHPG, Cymevan, Cymeven, Virgan, HHEMG, Vitrasert (TN), Biolf 62, Cytovene (TN), Ganciclovirum [Latin], nchembio.87-comp3, Prestwick_1068, GANCICLOVIR SODIUM, 2'-Nor-2'-deoxyguanosine

Molecular Formula:	C₉H₁₃N₅O₄	Molecular Weight:	255.230620 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N

• Gemcitabine HCL

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula:	C₉H₁₂ClF₂N₃O₄	Molecular Weight:	299.659086 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Granisetron Base

IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula:	C₁₈H₂₄N₄O	Molecular Weight:	312.409360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N

• Hormones

IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

Molecular Formula:	C₁₅H₂₅NO₅	Molecular Weight:	299.362700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: SFVVQRJOGUKCEG-OPQSFPLASA-N

• Hyaluronic Acid

IUPAC Name: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylate | CAS Registry Number: 9004-61-9
Synonyms: hyaluronate, HYALURONIC ACID, [beta-N-acetyl-D-glucosaminyl(1->4)beta-D-glucuronosyl(1->3)](n)

Molecular Formula:	C₁₅H₂₄NO₁₂-	Molecular Weight:	410.350560 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: GXMRSXSVVLWYCI-XTLSIONJSA-M

• Imiquimod

IUPAC Name: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine | CAS Registry Number: 99011-02-6
Synonyms: IMIQUIMOD, Aldara, Beselna, Zartra, Imiquimod acetate, Aldara (TN), Imiquimod [USAN:INN], 3M Brand of Imiquimod, Imiquimod (JAN/USAN/INN), MLS000083577, I5159_SIGMA, MTD-39, CHEBI:36704, AIDS070973, BB_SC-2107, R 837, R-837, AIDS-070973, C14H16N4, NSC369100

Molecular Formula:	C₁₄H₁₆N₄	Molecular Weight:	240.303640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DOUYETYNHWVLEO-UHFFFAOYSA-N

• Indirubin

IUPAC Name: 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one | CAS Registry Number: 479-41-4
Synonyms: Indigopurpurin, Indigo Red, KBioGR_000450, KBioSS_000450, KBio2_000450, KBio2_003018, KBio2_005586, KBio3_000839, KBio3_000840, Bio2_000395, Bio2_000875, NSC105327, [.DELTA.2,3'-Biindoline]-2',3-dione, C.I. 73200, 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-

Molecular Formula:	C₁₆H₁₀N₂O₂	Molecular Weight:	262.262800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-N

• Levetiracetam

IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula:	C₈H₁₄N₂O₂	Molecular Weight:	170.208960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Levothyroxine Sodium

IUPAC Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate | CAS Registry Number: 55-03-8
Synonyms: Thyradin, eltroxin, levothroid, Levoroxine, Thyronamin, Thyroxevan, Dathroid, Euthyrox, Laevoxin, Tiroidina, Unithroid, Levaxin, Levoxyl, Oroxine, Roxstan, Tetroid, Letter, Sodium thyroxin, Thyroxin sodium, Ro-thyroxine

Molecular Formula:	C₁₅H₁₀I₄NNaO₄	Molecular Weight:	798.851850 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: YDTFRJLNMPSCFM-YDALLXLXSA-M

• Liothyronine Sodium (CAS: 55-6-1)

• Lovastatin

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 75330-75-5
Synonyms: lovastatin, Mevacor, mevinolin, Mevinacor, Lovalord, Monacolin K, Nergadan, Altocor, Lovalip, Artein, Hipovastin, Lovasterol, Altoprev, Cholestra, Closterol, Lestatin, Lipofren, Lovastin, Tecnolip, Teroltrat

Molecular Formula:	C₂₄H₃₆O₅	Molecular Weight:	404.539640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-N

• Meropenem

IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 96036-03-2
Synonyms: meropenem, Meropen, Merrem, Meropenem anhydrous, MERONEM, Ambap6296, Antibiotic SM 7338, Prestwick0_001106, Prestwick1_001106, Prestwick2_001106, Prestwick3_001106, BSPBio_001212, MLS001401437, SPBio_003086, BPBio1_001334, CHEBI:43968, AIDS007788, AIDS-007788, SM-7338, ICI 194660

Molecular Formula:	C₁₇H₂₅N₃O₅S	Molecular Weight:	383.462500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: DMJNNHOOLUXYBV-PQTSNVLCSA-N

• Minocycline HCl

IUPAC Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride | CAS Registry Number: 13614-98-7
Synonyms: Minomycin, Arestin, Dynacin, Minocin, Solodyn, Prestwick_626, Arestin (TN), Dynacin (TN), Minocin (TN), Solodyn (TN), MINO, MINOCYCLINE HYDROCHLORIDE, Minocycline, Hydrochloride, SPECTRUM1500414, Minocycline hydrochloride (JP15/USP), LS-91518, C08030, D00850, 7-Dimethylamino-6-demethyl-6-deoxytetracycline, HCl, 11006-27-2

Molecular Formula:	C₂₃H₂₈ClN₃O₇	Molecular Weight:	493.937320 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: KDLQIOPKJDNQIM-WUURTAMISA-N

• Minoxidil

IUPAC Name: 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine | CAS Registry Number: 38304-91-5
Synonyms: minoxidil, Loniten, Rogaine, Minoximen, Theroxidil, Alopexil, Regaine, Tricoxidil, Prexidil, Alostil, Lonolox, Neoxidil, Minodyl, Mixture Name, RiUP, Minossidile [Italian], Prestwick_521, Loniten (TN), Rogaine (TN), Men s Rogaine Foam

Molecular Formula:	C₉H₁₅N₅O	Molecular Weight:	209.248300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: ZIMGGGWCDYVHOY-UHFFFAOYSA-N

• Mycophenolatemofetil

IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate | CAS Registry Number: 115007-34-6
Synonyms: mycophenolate mofetil, CellCept, Munoloc, Cellcept (TN), Mycophenylate mofetil, ME-MPA, HSDB 7436, UNII-9242ECW6R0, RS 61443, C23H31NO7, CHEBI:486457, MolPort-000-883-800, AIDS059828, HMS2090A03, Mycophenolate mofetil (JAN/USAN), RS-61443, Mycophenolic acid morpholinoethyl ester, RS-61443;MMF CellCept(TM), AIDS-059828, NSC724229

Molecular Formula:	C₂₃H₃₁NO₇	Molecular Weight:	433.494740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N

• Mycophenolic Acid

IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | CAS Registry Number: 24280-93-1
Synonyms: mycophenolic acid, Melbex, Myfortic, Mycophenolsaeure, Mycophenoic acid, Lilly-68618, Myfortic (TN), Prestwick_817, Lilly 68618, Tocris-1505, 1jr1, Prestwick2_000556, Prestwick3_000556, Spectrum5_001654, CCRIS 5565, Mycophenolic Acid (MPA), Micofenolico acido [Spanish], UPCMLD-DP028, BSPBio_000631, BSPBio_002534

Molecular Formula:	C₁₇H₂₀O₆	Molecular Weight:	320.337100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HPNSFSBZBAHARI-RUDMXATFSA-N

• Ondansetron Hcl

IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one dihydrate hydrochloride | CAS Registry Number: 103639-04-9
Synonyms: Zofran, Zensana, Zofrene, Zophren, Yatrox, Zofran Zydis, Zofran ODT, Zofran (TN), ONDANSETRON HYDROCHLORIDE, C18H19N3O.HCl, Ondansetron hydrochloride dihydrate, ZOFRAN PRESERVATIVE FREE, Ondansetron hydrochloride hydrate, Ondansetron hydrochloride [USAN:JAN], ZOFRAN IN PLASTIC CONTAINER, CID59774, EUR-1025, GG-032, GR-38032F, SN-307

Molecular Formula:	C₁₈H₂₄ClN₃O₃	Molecular Weight:	365.854460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: VRSLTNZJOUZKLX-UHFFFAOYSA-N

• Ostarine

IUPAC Name: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | CAS Registry Number: 1202044-20-9
Synonyms: ENOBOSARM, GTx-024, MK-2866, Enobosarm (USAN), Enobosarm [USAN], GTx-024, MK-2866, Ostarine, 841205-47-8, MK 2866, MK 2866, 1202044-20-9, MK2866, (2S)-3-(4-Cyanophenoxy)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide, (2s)-3-(4-Cyanophenoxy)-N-[4-Cyano-3-(Trifluoromethyl)phenyl]-2-Hydroxy-2-Methylpropanamide, SureCN109069, UNII-O3571H3R8N, CHEMBL1738889, AKOS005266718, CS-0562, EX-8408, NCGC00346499-01, HY-13273

Molecular Formula:	C₁₉H₁₄F₃N₃O₃	Molecular Weight:	389.327970 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: JNGVJMBLXIUVRD-SFHVURJKSA-N

• Oxiracetam

IUPAC Name: 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 62613-82-5
Synonyms: oxiracetam, Hydroxypiracetam, Neuractiv, Neuromet, Oriest, 4-Hydroxypiracetam, (+-)-Oxiracetam, Oxiracetam (INN), Oxiracetam [BAN:INN], Oxiracetamum [INN-Latin], CCRIS 4221, Lopac0_000933, O3011_SIGMA, CT-848, CGP 21690E, ISF 2522, ISF-2522, C6H10N2O3, CGP-21690E, 4-Hydroxy-2-oxo-1-pyrrolidineacetamide

Molecular Formula:	C₆H₁₀N₂O₃	Molecular Weight:	158.155200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IHLAQQPQKRMGSS-UHFFFAOYSA-N

• Pamidronic Acid

IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid | CAS Registry Number: 40391-99-9
Synonyms: pamidronate, Amidronate, Aredia, PAMIDRONIC ACID, Aminomux, AHPrBP, Bisphosphonate 6, pamidronate calcium, pamidronate monosodium, PAMIDRONATE DISODIUM, ChemDiv1_025240, aminopropanehydroxydiphosphonate, Acide pamidronique [INN-French], Acido pamidronico [INN-Spanish], Acidum pamidronicum [INN-Latin], Pamidronic acid [BAN:INN], Pamidronic acid [INN:BAN], C3H11NO7P2, aminohydroxypropylidene diphosphonate, STOCK1N-12562

Molecular Formula:	C₃H₁₁NO₇P₂	Molecular Weight:	235.069462 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: WRUUGTRCQOWXEG-UHFFFAOYSA-N

• Peptides

Molecular Formula:	C₄₅H₃₆Cl₄N₆O₁₀	Molecular Weight:	962.613540 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	12

InChIKey: ITEJDHVEYLBYQP-DDFLMXQMSA-N

• Pimecrolimus

Synonyms: Elidel, SDZ-ASM 981, 33-epi-Chloro-33-desoxyascomycin, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4R*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-

Molecular Formula:	C₄₃H₆₈ClNO₁₁	Molecular Weight:	810.453120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: KASDHRXLYQOAKZ-OLHLVPFQSA-N

• Pimobendan

IUPAC Name: 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one | CAS Registry Number: 74150-27-9
Synonyms: pimobendan, dl-Pimobendan, Acardi, d-Pimobendan, l-Pimobendan, pimobendane, Vetmedin, Racemic pinobendan, (+)-Pimobendan, (-)-Pimobendan, Acardi (TN), Pimobendan [USAN:INN], Pimobendan [INN-Spanish], Pimobendane [INN-French], Pimobendanum [INN-Latin], UD-CG 115, UD-CG 115 BS, Pimobendan (JAN/USAN/INN), UD-CG-115BS, (+)-UD-CG 115BS

Molecular Formula:	C₁₉H₁₈N₄O₂	Molecular Weight:	334.371820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GLBJJMFZWDBELO-UHFFFAOYSA-N

• Ponazuril

IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 69004-04-2
Synonyms: Ponazuril [INN], AIDS210926, AIDS-210926, CID3050408, 1-Methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione.

Molecular Formula:	C₁₈H₁₄F₃N₃O₆S	Molecular Weight:	457.380470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-N

• Pramiracetam

IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 68497-62-1
Synonyms: pramiracetam, Pramiracetam [INN], Pramiracetamum [INN-Latin], C14H27N3O2, LS-176669, 1-Pyrrolidineacetamide, N-(2-(bis(1-methylethyl)amino)ethyl)-2-oxo-, 72869-16-0

Molecular Formula:	C₁₄H₂₇N₃O₂	Molecular Weight:	269.383080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZULJGOSFKWFVRX-UHFFFAOYSA-N

• Procainamide Hydrochloride

IUPAC Name: 4-amino-N-(2-diethylaminoethyl)benzamide hydrochloride | CAS Registry Number: 614-39-1
Synonyms: Pronestyl, Procanbid, Procan, procainamide hydrochloride, Procapan, Procan SR, Procainhydrochlorid, Pronestyl-Sr, Procainii chloridum, Procainamide Hcl, Promide hydrochloride, Procanbid (TN), Procapan hydrochloride, Pronestyl (TN), Novocamid hydrochloride, Procaini hydrochloridum, Procamide hydrochloride, Procardyl hydrochloride, Procan-SR hydrochloride, Procan SR (TN)

Molecular Formula:	C₁₃H₂₂ClN₃O	Molecular Weight:	271.786280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: ABTXGJFUQRCPNH-UHFFFAOYSA-N

• Propanamide, 3-[4-(acetylamino)phenoxy]-2-Hydroxy-2-Methyl-N-[4-Nitro-3-(trifluoromethyl)phenyl]-, (2s)-

IUPAC Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | CAS Registry Number: 401900-40-1
Synonyms: Andarine, GTX007, GTX-007, 401900-40-1, S-3-(4-Acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide, S-4, S1140_Selleck, Andarine (GTX-007), Andarine - GTX-007, UNII-7UT2HAH49H, SureCN2689756, cc-483, Nonsteroidal AR Ligand, S-6, CHEMBL125236, GTX-007, 3b68, BCPP000400, ABP000375, ABP000949, ZINC03991693, AKOS005145785

Molecular Formula:	C₁₉H₁₈F₃N₃O₆	Molecular Weight:	441.357930 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: YVXVTLGIDOACBJ-SFHVURJKSA-N

• Spironolactone

IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate | CAS Registry Number: 52-01-7
Synonyms: spironolactone, Aldactone, Verospiron, Spiroctan, Spironocompren, Spirolactone, Verospirone, Euteberol, Spirolang, Melarcon, Spiresis, Spiridon, Uractone, Urusonin, Alderon, Spirone, Xenalon, Acelat, Dira, Spiro-Tablinen

Molecular Formula:	C₂₄H₃₂O₄S	Molecular Weight:	416.573480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N

• Teicoplanin

Synonyms: Teichomycin A2, Teicoplanin A 2, Teicoplanin A 2 (9CI), LS-148650

Molecular Formula:	C₉₀H₉₉Cl₂N₉O₃₄	Molecular Weight:	1921.694960 [g/mol]
H-Bond Donor:	24	H-Bond Acceptor:	35

InChIKey: LCTCUBQFWLTHNS-MDZDMXLPSA-N

• Teicoplanin Sodium

Synonyms: Teichomycin, Teicomycin A2, Teicplanin A2, Targocid(TM), Teicoplanin A2-3, TEICOPLANIN, Antibiotic 8327A, Antibiotic MDL 507, Teichomycin A2 factor 3, MDL 507, AIDS007693, AIDS-007693, C13588, 61036-64-4 (A 2), 91032-36-9

Molecular Formula:	C₈₈H₉₇Cl₂N₉O₃₃	Molecular Weight:	1879.658280 [g/mol]
H-Bond Donor:	24	H-Bond Acceptor:	34

InChIKey: BJNLLBUOHPVGFT-QRZIFLFXSA-N

• Tesmilifene

IUPAC Name: 2-(4-benzylphenoxy)-N,N-diethylethanamine | CAS Registry Number: 98774-23-3
Synonyms: Depmpe, DPPE hydrochloride, Tocris-0743, UNII-I43T3ID6G2, C19H25NO, CHEBI:135953, 92981-78-7 (hydrochloride), CID108092, NCGC00024762-01, NCGC00024762-02, 2-((alpha-Phenyl-p-tolyl)oxy)triethylamine, LS-178389, [2-(4-Benzyl-phenoxy)-ethyl]-diethyl-amine, N,N-Diethyl-2-((4-phenylmethyl)phenoxy)ethanamine, Ethanamine, N,N-diethyl-2-(4-(phenylmethyl)phenoxy)-, N,N-diethyl-2-(4-(phenylmethyl)phenoxy)ethanamine, BRD-K80315159-051-01-2, N,N-diethyl-2-(4-(phenylmethyl)phenoxy)ethanamine hydrochloride, Ethanamine, N,N-diethyl-2-(4-(phenylmethyl)phenoxy)-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-

Molecular Formula:	C₁₉H₂₅NO	Molecular Weight:	283.407900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NFIXBCVWIPOYCD-UHFFFAOYSA-N

• Toremifene citrate

IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine | CAS Registry Number: 89778-26-7
Synonyms: toremifene, Acapodene, Fareston, Farestone, Z-Toremifene, Estrimex, Toremifenum [Latin], Toremifeno [Spanish], Toremifene [INN:BAN], TOREMIFENE CITRATE, GTX-006 (Acapodene), C26H28ClNO, Toremifene Citrate (1:1), FC-1157a, GTx 006, GTx-006, CHEBI:9635, BB_SC-4133, NK-622, DB00539

Molecular Formula:	C₂₆H₂₈ClNO	Molecular Weight:	405.959620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XFCLJVABOIYOMF-QPLCGJKRSA-N

• Trilostane

Synonyms: Modrenal, Desopan, Modrenal (TN), Desopan (TN), Trilostane (JAN/USAN), CHEBI:32260, DB01108, D01180, 3,17beta-dihydroxy-4alpha,5-epoxy-5alpha-androst-2-ene-2-carbonitrile, (4alpha,5alpha,17beta)-3,17-dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile

Molecular Formula:	C₂₀H₂₇NO₃	Molecular Weight:	329.433280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-N

• Tropisetron Citrate

IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 89778-27-8
Synonyms: Fareston, TOREMIFENE CITRATE, toremifene, Fareston (TN), Ambap4022, Toremifene citrate [USAN], CCRIS 6719, FC 1157a, MLS001306432, MLS001424189, C26H28ClNO.C6H8O7, Toremifene citrate (JAN/USAN), NK 622, NSC613680, AIDS156396, NSC 613680, AIDS-156396, CPD000469213, LS-64922, SAM001246774

Molecular Formula:	C₃₂H₃₆ClNO₈	Molecular Weight:	598.083140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: IWEQQRMGNVVKQW-OQKDUQJOSA-N

• valacyclovir

IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate | CAS Registry Number: 124832-26-4
Synonyms: Valaciclovir, Valtrex, Acetylpromazine, Zelitrex, Talavir, Virval, Acyclovir-valine, Valaciclovir Hcl, ValACV, ACEPROMAZINE, VACV, Valaciclovir, Valtrex, Valacyclovir hydrochloride, Valacyclover Hydrochloric, Valaciclovir hydrochloride, Valacyclover Hydrochloride, Valaciclovir [INN:BAN], valacyclovir, (L)-isomer, BSPBio_002474, MLS001304747

Molecular Formula:	C₁₃H₂₀N₆O₄	Molecular Weight:	324.335700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: HDOVUKNUBWVHOX-QMMMGPOBSA-N

• Valganciclovir

IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate | CAS Registry Number: 175865-60-8
Synonyms: Cymeval, Valcyte, Valcyt, Valganciclovir (INN), Valganciclovir (Oral), Valganciclovir [INN:BAN], L-Valine, ester with ganciclovir, AIDS032967, C14H22N6O5, AIDS-032967, CID64147, DB01610, NCGC00168779-01, RS 79070, 175865-59-5 (HYDROCHLORIDE), LS-173677, D02495, RO1079070/194, RS 079070-194, RO 107-9070/194

Molecular Formula:	C₁₄H₂₂N₆O₅	Molecular Weight:	354.361680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: WPVFJKSGQUFQAP-GKAPJAKFSA-N

• Vancomycin

Synonyms: Vancocin, VANCOMYCIN, Vancomycin [USAN], Vancomycine [INN-French], Vancomycinum [INN-Latin], Vancomicina [INN-Spanish], Prestwick0_000497, Prestwick1_000497, Prestwick2_000497, Lopac0_001267, HSDB 3262, Vancomycin [USAN:INN:BAN], SPBio_002314, C66H75Cl2N9O24, CHEBI:28001, EINECS 215-772-6, AIDS070034, AIDS-070034, 1404-93-9 (MONOHYDROCHLORIDE), LS-161387

Molecular Formula:	C₆₆H₇₅Cl₂N₉O₂₄	Molecular Weight:	1449.253600 [g/mol]
H-Bond Donor:	19	H-Bond Acceptor:	26

InChIKey: MYPYJXKWCTUITO-LYRMYLQWSA-N

• 5-Aminoimidazole-4-carboxamide-1-beta-riboside

IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide | CAS Registry Number: 2627-69-2
Synonyms: ACADESINE, AICA-riboside, Arasine, Protara, AIC-Riboside, Z-Riboside, AICA riboside, AICA, AICAR, Acadesine (USAN/INN), Acadesinum [INN-Latin], Acadesina [INN-Spanish], Acadesine [USAN:BAN:INN], AIDS016108, AIDS-016108, EINECS 220-097-5, HSCI1_000213, NSC105823, GP-1-110, NSC 105823

Molecular Formula:	C₉H₁₄N₄O₅	Molecular Weight:	258.231260 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-N