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• Tetramisole Hydrochloride
IUPAC Name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride | CAS Registry Number: 5086-74-8
Synonyms: Anthelvet, Ascarotrat, Concurat, Nilverom, Ripercol, Citarin, Nilverm, Tetramisole hydrochloride, Orovermol, Pig Wormer, Spartakon, Ripereol, Solaskil hydrochloride, Citarin (VAN), Prestwick_854, TETRAMISOLE, Bayer 9051, Tetramisol hydrochloride, (.+-.)-Anthelvet, McN JR 8299

Molecular Formula: C11H13ClN2SMolecular Weight: 240.752320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N

• Thiodiglycolic acid
IUPAC Name: 2-(carboxymethylsulfanyl)acetic acid | CAS Registry Number: 123-93-3
Synonyms: Thiodiacetic acid, Acetic acid, thiodi-, Thiodi(acetic acid), Mercaptodiacetic acid, TDGA, Dicarboxymethyl sulfide, 2,2'-Thiobisacetic acid, THIODIGLYCOLLIC ACID, 2,2'-Thiodiethanoic acid, 2,2'-Thiodiglycolic acid, (Carboxymethylthio)acetic acid, 2,2'-Thiodiacetic acid, USAF E-2, Acetic acid, 2,2'-thiobis-, USAF CB-36, Dicarboxydimethyl sulfide, WLN: QV1S1VQ, NSC28743, NCIStruc1_001632, NCIStruc2_000011

Molecular Formula: C4H6O4SMolecular Weight: 150.153040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UVZICZIVKIMRNE-UHFFFAOYSA-N

• Tolbutamide
IUPAC Name: 1-butyl-3-(4-methylphenyl)sulfonylurea | CAS Registry Number: 64-77-7
Synonyms: tolbutamide, Orinase, Diabetol, Rastinon, Artosin, Dolipol, Diaben, Orabet, Willbutamide, Diabetamid, Diasulfon, Ipoglicone, Tolbutamid, Butamide, Diabuton, Dirastan, Glyconon, Pramidex, Tolbusal, Aglicid

Molecular Formula: C12H18N2O3SMolecular Weight: 270.347920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JLRGJRBPOGGCBT-UHFFFAOYSA-N

• trans-4-(trifluoromethyl)cinnamic Acid
IUPAC Name: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate | CAS Registry Number: 16642-92-5
Synonyms: ZINC00056575, CID5553364

Molecular Formula: C10H6F3O2-Molecular Weight: 215.148650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ANRMAUMHJREENI-ZZXKWVIFSA-M

• Trenbolone Acetate
IUPAC Name: [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 10161-34-9
Synonyms: Finaplix, Trenbolone acetate, Component T-S, Trienbolone acetate, Finaplix (TN), Trenbolone acetate [USAN], Trenbolone acetate (USP), EINECS 233-432-5, C20H24O3, RU 1697, BRN 2012395, trenbolone acetate, (17beta)-isomer, ZINC04083873, 3-Oxo-17beta-acetoxyestra-4,9,11-triene, NCGC00167439-01, LS-64823, 17-beta-(Acetyloxy)estra-4,9,11-trien-3-one, 17-beta-Acetoxy-delta-4,9,11-estratrien-3-one, 17-beta-Hydroxyestra-4,9,11-trien-3-one acetate, 17beta-Hydroxyestra-4,9,11-trien-3-one, acetate

Molecular Formula: C20H24O3Molecular Weight: 312.402760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CMRJPMODSSEAPL-FYQPLNBISA-N

• Triamcinolone Acetonide Acetate
IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 124-94-7
Synonyms: triamcinolone, Kenacort, Fluoxyprednisolone, Triamcinolon, Aristocort, Delphicort, Rodinolone, Tricortale, Ledercort, Adcortyl, Triamcet, Celeste, Volon, Triam-Tablinen, Triamcinlon, Cinolone-T, SK-Triamcinolone, Triamcinalone, Polcortolon, Kenalog

Molecular Formula: C21H27FO6Molecular Weight: 394.433883 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: GFNANZIMVAIWHM-OBYCQNJPSA-N

• Triamcinolone Diacetate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17S)-17-(2-acetyloxyacetyl)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-16-yl] acetate | CAS Registry Number: 67-78-7
Synonyms: Aristocort, Polcortolon, Kenacourt, Tedarol, Orion, Aristocort syrup, Aristocort Forte, Polcartolone, Kenacort, Aristocort diacetate, Aristocort (TN), Aristocort Parenterals, Kenacort Diacetate Syrup, Aristocort diacetate forte, Aristocort Forte Parenteral, TRIAMCINOLONE DIACETATE, Triamcinolone diacetate [JAN], Triamcinolone 16,21-diacetate, 357RP, STOCK1N-57352

Molecular Formula: C25H31FO8Molecular Weight: 478.507243 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: XGMPVBXKDAHORN-RBWIMXSLSA-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: C20H27NO3Molecular Weight: 329.433280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-N

• Vardenafil
IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one | CAS Registry Number: 224785-90-4
Synonyms: Levitra, VARDENAFIL, LEVITRA, BSPBio_002392, HSDB 7304, STOCK6S-20068, CID110634, DB00862, BAY 38-9456, NCGC00167533-01, LS-111467, VDN, 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one, Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-, 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine, 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one, 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE

Molecular Formula: C23H32N6O4SMolecular Weight: 488.602980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: SECKRCOLJRRGGV-UHFFFAOYSA-N

• 1-Carbethoxymethylene-Triphenylphosphorane
IUPAC Name: ethyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 1099-45-2
Synonyms: C5106_ALDRICH, (Carbethoxymethylene)triphenylphosphorane, Ethyl (triphenylphosphoranylidene)acetate, 02595_FLUKA, Triphenylcarbethoxymethylenephosphorane, Carbethoxytriphenylphosphonium methylide, Carbethoxymethylidenetriphenylphosphorane, NSC72406, Carboethoxymethylidenetriphenylphosphorane, EINECS 214-151-7, Ethyl (triphenylphosphoranilidene)acetate, NSC 72406, NSC167159, Ethyl (triphenylphosphoranyliden)acetate, Acetic acid, (triphenylphosphoranylidene)-, ethyl ester, (Ethoxycarbonylmethylene)triphenylphosphorane, ST5406274, ((Ethoxycarbonyl)methylene)triphenylphosphorane, [(Ethoxycarbonyl)methylene]triphenylphosphorane, ((Ethoxycarbonyl)ethylidene)triphenylphosphorane

Molecular Formula: C22H21O2PMolecular Weight: 348.374701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N

• 4-Methoxycinnamaldehyde
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enal | CAS Registry Number: 1963-36-6
Synonyms: p-Methoxycinnamaldehyde, Ambap467, p-Methoxy cinnamaldehyde, Methoxycinnamaldehyde, p-, p-Methoxycinnamic aldehyde, Cinnamaldehyde, p-methoxy-, para-Methoxy cinnamic aldehyde, trans-p-Methoxycinnamaldehyde, ghl.PD_Mitscher_leg0.403, trans-4-Methoxycinnamaldehyde, W356700_ALDRICH, FEMA No. 3567, 3-(4-methoxyphenyl)acrylaldehyde, 3-(4-Methoxyphenyl)-2-propenal, Cinnamaldehyde, p-methoxy- (8CI), EINECS 217-807-0, (2E)-3-(4-Methoxyphenyl)-2-propenal, 2-Propenal, 3-(4-methoxyphenyl)-, NSC 26454, ZINC01531852

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AXCXHFKZHDEKTP-NSCUHMNNSA-N

• 17a-HydroxyProgesterone
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 68-96-2
Synonyms: Prodix, Prodox, Gestageno gador, hydroxyprogesterone, Proluton, Setaderm, Oxiprogesteronum, 17-Hydroxyprogesterone, Gestageno, Idrossiprogesterone [DCIT], 17 Hydroxyprogesterone, 17ALPHA-HYDROXYPROGESTERONE, 17-alpha-Hydroxyprogesterone, 17alpha-Hydroxy-progesterone, HSDB 3343, Hydroxyprogesteronum [INN-Latin], Hidroxiprogesterona [INN-Spanish], 17 alpha Hydroxyprogesterone, 17 alpha-Hydroxyprogesterone, 17-Hydroxypregn-4-ene-3,20-dione

Molecular Formula: C21H30O3Molecular Weight: 330.461100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-N

• 2-Bromo-3,4-dioxymethylene-5-methoxymethyl benzoate
IUPAC Name: [(E)-3-bromoprop-1-enyl]benzene | CAS Registry Number: 4392-24-9
Synonyms: Cinnamyl bromide, 3-Phenylallyl bromide, trans-Cinnamyl bromide, 3-Bromo-1-phenyl propene-1, 3-Bromo-1-phenyl-1-propene, C81217_ALDRICH, NSC78446, EINECS 224-511-5, [(1E)-3-Bromo-1-propenyl]benzene, CID5357478

Molecular Formula: C9H9BrMolecular Weight: 197.071760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RUROFEVDCUGKHD-QPJJXVBHSA-N

• 3,3-Diphenylpropionic Acid
IUPAC Name: 3,3-di(phenyl)propanoic acid | CAS Registry Number: 606-83-7
Synonyms: Diphenylpropionic acid, 3,3-Diphenylpropanoic acid, 3,3-Diphenylpropionic acid, 3,3-Diphenylpropanoate, .beta.-Phenylbenzenepropanoic acid, 3,3-Diphenyl-propionic acid, Propionic acid, 3,3-diphenyl-, MLS000038515, D211656_ALDRICH, beta-Phenylbenzenepropanoic acid, Benzenepropanoic acid, .beta.-phenyl-, beta,beta-Diphenylpropionic acid, 43220_FLUKA, Hydrocinnamic acid, beta-phenyl-, NSC6797, NSC631492, AIDS053395, AIDS-053395, Benzenepropanoic acid, beta-phenyl-, Hydrocinnamic acid, .beta.-phenyl-

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BZQGAPWJKAYCHR-UHFFFAOYSA-N

• 3,3-Diphenylpropionic Acid Ethyl Ester
IUPAC Name: ethyl 3,3-di(phenyl)propanoate | CAS Registry Number: 7476-18-8
Synonyms: ethyl 3,3-diphenylpropanoate, NSC401896, CID344791

Molecular Formula: C17H18O2Molecular Weight: 254.323620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XZXRDSROKCWSHE-UHFFFAOYSA-N

• 3,5-Diiodo-L-tyrosine dihydrate
IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | CAS Registry Number: 300-39-0
Synonyms: L-Diiodotyrosine, Diiodotyrosine, 3,5-Diiodo-L-tyrosine, DIT (amino acid), L-3,5-Diiodotyrosine, 3,5-L-Diiodotyrosine, 3,5-Iodo-L-tyrosine, 3,5-DIIODOTYROSINE, Spectrum5_001996, L-Tyrosine, 3,5-diiodo-, MLS000028503, D0754_SIGMA, 38130_FLUKA, CHEBI:15768, 3,5-DIIODOTYROSINE (L), NSC 4143, EINECS 206-092-0, Tyrosine, 3,5-diiodo-, L- (8CI), NCGC00163111-01, SMR000058274

Molecular Formula: C9H9I2NO3Molecular Weight: 432.981600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N

• 3-Bromo-4-Hydroxybenzaldehyde
IUPAC Name: 3-bromo-4-hydroxybenzaldehyde | CAS Registry Number: 2973-78-6
Synonyms: 3-Bromo-4-hydroxybenzaldehyde, Benzaldehyde, 3-bromo-4-hydroxy-, 4-Hydroxy-3-bromobenzaldehyde, 516775_ALDRICH, NSC220227, ZINC01410691, ST5135993, TL8002317

Molecular Formula: C7H5BrO2Molecular Weight: 201.017400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UOTMHAOCAJROQF-UHFFFAOYSA-N

• 3-Chloro Cinnamic Acid
IUPAC Name: (E)-3-(3-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1866-38-2
Synonyms: m-Chlorocinnamic acid, 3-CHLOROCINNAMIC ACID, (E)-m-Chlorocinnamic acid, ALBB-006018, NSC61876, EINECS 217-478-3, EINECS 238-466-4, CID735250, NSC 61876, NSC623439, SBB012383, (2E)-3-(3-chlorophenyl)acrylic acid, 14473-90-6, InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FFKGOJWPSXRALK-SNAWJCMRSA-N

• 3-Nitro Cinnamic Acid
IUPAC Name: (Z)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 555-68-0
Synonyms: m-Nitrocinnamic acid, Cinnamic acid, m-nitro, Cinnamic acid, m-nitro-, NSC5408, 2-Propenoic acid, 3-(3-nitrophenyl)-

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-PLNGDYQASA-N

• 4-Dimethylaminocinnamaldehyde
IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal | CAS Registry Number: 6203-18-5
Synonyms: DMACA Reagent, 4-Dimethylcinnamaldehyde, p-Dimethylaminocinnamaldehyde, p-(Dimethylamino)cinnamaldehyde, p-Dimethylaminocinnamic aldehyde, CCRIS 3773, 4-(Dimethylamino)cinnamaldehyde, Cinnamaldehyde, p-(dimethylamino)-, D4506_SIGMA, 39421_FLUKA, 49825_FLUKA, EINECS 228-267-0, p-N,N-Dimethylaminocinnamaldehyde, NSC 62138, NSC62138, 2-Propenal, 3-[4-(dimethylamino)phenyl]-, ZINC01691033, 3-(4-(Dimethylamino)phenyl)-2-propenal, 2-Propenal, 3-(4-(dimethylamino)phenyl)-, 4-(Dimethylamino)-cinnamaldehyde solution

Molecular Formula: C11H13NOMolecular Weight: 175.227020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RUKJCCIJLIMGEP-ONEGZZNKSA-N

• 4-Methyl Cinnamic Acid
IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enoic acid | CAS Registry Number: 1866-39-3
Synonyms: 4-Methylcinnamic acid, p-Methylcinnamic acid, trans-p-Methylcinnamic acid, M35800_ALDRICH, ARONIS003023, NSC66272, EINECS 217-479-9, CID731767, NSC 66272, SBB015822, IDI1_007649, M105, 4-Methylcinnamic acid, predominantly trans, 3-(4-METHYLPHENYL)-2-PROPENOIC ACID

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RURHILYUWQEGOS-VOTSOKGWSA-N

• 5-Epiandroster-17-One Acetate
IUPAC Name: (10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate | CAS Registry Number: 1239-31-2
Synonyms: Androsterone acetate, Epiandrosterone acetate, Isoandrosterone acetate, epi-Androsterone acetate, NSC120612, 3.beta.-Acetoxy-5.alpha.-androstan-17-one, 17-Oxo-5.alpha.-androstan-3.beta.-yl acetate, 5.alpha.-Androstan-3.beta.-ol-17-one acetate, 5.beta.-androstan-3.alpha.-ol-17-one, acetate, 5.alpha.-Androstan-17-one, 3.beta.-hydroxy-, acetate, 5.alpha.-Androstan-3.alpha.-ol-17-one, acetate(ester), Androstan-17-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-

Molecular Formula: C21H32O3Molecular Weight: 332.476980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FDCINQSOYQUNKB-UHFFFAOYSA-N

• 4-Bromostyrene
IUPAC Name: 1-bromo-4-ethenylbenzene | CAS Registry Number: 2039-82-9
Synonyms: p-Bromostyrene, Styrene, p-bromo-, 4-BROMOSTYRENE, p-BROMO STYRENE, Benzene, 1-bromo-4-ethenyl-, 1-Bromo-4-vinylbenzene, 1-(4-Bromophenyl)ethylene, Styrene, p-bromo- (8CI), 124141_ALDRICH, CID16263, NSC60393, EINECS 218-022-6, NSC 60393, Benzene, 1-bromo-4-ethenyl- (9CI), B293, ST5406224, InChI=1/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N

• 2-Mercaptobenzoxazole
IUPAC Name: 3H-1,3-benzoxazole-2-thione | CAS Registry Number: 2382-96-9
Synonyms: Benzoxazolinethione, 2(3H)-Benzoxazolethione, 2-Benzoxazolinethione, 2-BENZOXAZOLETHIOL, 2-Benzoxazolethione, 2-Benzoxazolylthiol, Benzoxazole-2-thiol, Benzoxazole, 2-mercapto-, Benzooxazole-2-thiol, 2-Mercapto-1,3-benzoxazole, M3507_ALDRICH, 2-Benzoxazolinethione (7CI), MLS000696385, 1,3-Benzoxazole-2(3H)-thione, BENZOXAZOLINE,2-THIONE, NSC 2128, 1,3-benzoxazol-2-ylhydrosulfide, EINECS 219-191-9, NSC2128, NSC209084

Molecular Formula: C7H5NOSMolecular Weight: 151.185700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FLFWJIBUZQARMD-UHFFFAOYSA-N

• 2,4-Dichloro Phenyl Imidazole Ethanol
IUPAC Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol | CAS Registry Number: 24155-42-8
Synonyms: MLS000056514, EINECS 246-042-5, BRN 0617090, T 824, LS-78610, SMR000066401, alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol, ST5308226, TL8001987, R 14821, Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 5-23-04-00319 (Beilstein Handbook Reference), Benzyl alcohol, 2,4-dichloro-alpha-(1-imidazolylmethyl)-, N-(beta-(2,4-Dichlorophenyl)-beta-hydroxyethyl)imidazole, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 1-(2,4-DICHLOROPHENYL)-1H-IMIDAZOLE-1-ETHANOL, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)- (9CI)

Molecular Formula: C11H10Cl2N2OMolecular Weight: 257.115900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKVLTPAGJIYSGN-UHFFFAOYSA-N

• 2-Ethyl-5-Nitro Imidazole
IUPAC Name: 2-methyl-5-nitro-1H-imidazole | CAS Registry Number: 696-23-1
Synonyms: Menidazole, 2-Methyl-4-nitroimidazole, 2-Methyl-5-nitroimidazole, Imidazole, 2-methyl-4-nitro-, Imidazole, 2-methyl-5-nitro-, 5-Nitro-2-methyl imidazole, 1H-Imidazole, 2-methyl-4-nitro-, 2-Methyl-5-nitro-1H-imidazole, EINECS 211-790-3, AIDS398397, AIDS-398397, CID12760, RP 8532, STK320516, ZINC02031392, ZINC04807239, 2-METHYL-4-NITRO-1H-IMIDAZOLE, 2-Methyl-5-nitro-1H-imidazole (9CI), LS-78792, ST5331253

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FFYTTYVSDVWNMY-UHFFFAOYSA-N

• 2-Ethyl Hexyl Acetate
IUPAC Name: 2-ethylhexyl acetate | CAS Registry Number: 103-09-3
Synonyms: Octyl acetate, 2-Ethylhexyl ethanoate, 2-Ethyl-1-hexanol acetate, 2EH Acetate, 2-ETHYLHEXYL ACETATE, 2-Ethylhexanyl acetate, beta-Ethylhexyl acetate, 2-Ethyl-1-hexyl acetate, Acetic acid, 2-ethylhexyl ester, FEMA Number 2806, .beta.-ethylhexyl acetate, (+)-2-Ethylhexyl acetate, HSDB 2668, W514705_ALDRICH, Acetic acid alpha-ethylhexyl ester, 537497_ALDRICH, NSC 8897, EINECS 203-079-1, NSC8897, WLN: 4Y2 & 1OV1

Molecular Formula: C10H20O2Molecular Weight: 172.264600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WOYWLLHHWAMFCB-UHFFFAOYSA-N

• 17a-Hydroxyprogesterone acetate
IUPAC Name: (17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate | CAS Registry Number: 302-23-8
Synonyms: Prokan, 17-Acetoxyprogesterone, 17.alpha.-Acetoxyprogesterone, 17-Hydroxyprogesterone acetate, 17-AP, NSC12191, EINECS 241-337-5, NCGC00160371-01, 17-Hydroxyprogesterone 17.alpha.-acetate, BAS 00417541, Pregn-4-ene-3,20-dione, 17-(acetyloxy)-, 17alpha-Hydroxyprogesterone-17alpha acetate, 3,20-Dioxopregn-4-en-17-beta-yl acetate, ST5228986, Pregn-4-ene-3,20-dione, 17-hydroxy-, acetate, U 5533, 17308-02-0

Molecular Formula: C23H32O4Molecular Weight: 372.497780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VTHUYJIXSMGYOQ-UHFFFAOYSA-N

• 2-Bromo-2',4'-dichloro acetophenone
IUPAC Name: 2-bromo-1-(2,4-dichlorophenyl)ethanone | CAS Registry Number: 2631-72-3
Synonyms: 595268_ALDRICH, 2-Bromo-2',4'-dichloroacetophenone, ZINC00336225, CID75828, EINECS 220-116-7, SBB003050, 2-bromo-1-(2,4-dichlorophenyl)ethanone, TL8002098, 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, AN-907/25060018

Molecular Formula: C8H5BrCl2OMolecular Weight: 267.934700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DASJDMQCPIDJIF-UHFFFAOYSA-N

• 2-Chloro-2-hydroxyiminoacetic acid ethyl ester
IUPAC Name: ethyl (2Z)-2-chloro-2-hydroxyiminoacetate | CAS Registry Number: 14337-43-0
Synonyms: Chloro oxime, Ethyl chlorooximidoacetate, Ethyl chlorooximinoacetate, Ethyl chloro oximido acetate, 292621_ALDRICH, 1-Ethyl oxalyl chloride 2-oxime, SBB009890, Ethyl 2-chloro-2-(hydroxyimino)acetate, Acetic acid, chloro(hydroxyimino)-, ethyl ester

Molecular Formula: C4H6ClNO3Molecular Weight: 151.548340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UXOLDCOJRAMLTQ-UTCJRWHESA-N

• 4-Methoxycinnamic acid methyl ester
IUPAC Name: (3-methoxyphenyl)methyl prop-2-enoate | CAS Registry Number: 144261-46-1
Synonyms: 3-Methoxybenzyl acrylate, (3-METHOXYPHENYL)METHYL 2-PROPENOATE, 2-Propenoic acid,(3-methoxyphenyl)methyl ester, ACMC-1BZBP, ethylmethoxyphenylacrylate, SureCN10891722, CTK4C4006, ANW-65613, AKOS016005440, AG-D-87308, RP12016, AK-89743, FT-0643363, P-MethoxylCinnamaldehydeIsooctyl;p-Methoxyl;P-MethoxylMethylCinnamate;methyl p-methoxycinnamate;4-methoxycinnamic acid methyl ester;3-(4-Methoxyphenyl)-2-propenoic acid methyl ester;

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GRQCJLZJUDPOKY-UHFFFAOYSA-N

• 4-Bromo-2-fluorocinnamic acid
IUPAC Name: (Z)-3-(4-bromo-2-fluorophenyl)prop-2-enoate | CAS Registry Number: 149947-19-3
Synonyms: ZINC04977471

Molecular Formula: C9H5BrFO2-Molecular Weight: 244.037203 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SVJGKQYKYNDYMU-RQOWECAXSA-M

• 4-Nitrocinnamaldehyde
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal | CAS Registry Number: 1734-79-8
Synonyms: p-Nitrocinnamaldehyde, trans-4-Nitrocinnamaldehyde, CINNAMALDEHYDE, p-NITRO-, WLN: WNR D1U1VH, CCRIS 3774, 2-Propenal, 3-(4-nitrophenyl)-, 3-(4-Nitrophenyl)-2-propenal, 281670_ALDRICH, 3-(4-nitrophenyl)acrylaldehyde, NSC 1318, 74115_FLUKA, EINECS 217-076-8, NSC1318, (2E)-3-(4-Nitrophenyl)-2-propenal, BRN 1565424, STK045749, ZINC01591841, trans-3-(4-Nitrophenyl)-2-propenal, 4-Nitrocinnamaldehyde, predominantly trans, LS-53835

Molecular Formula: C9H7NO3Molecular Weight: 177.156780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ALGQVMMYDWQDEC-OWOJBTEDSA-N

• (2-Methylphenoxy)acetic acid
IUPAC Name: 2-(2-methylphenoxy)acetic acid | CAS Registry Number: 1878-49-5
Synonyms: o-Tolyloxyacetic acid, o-Toloxyacetic acid, (2-methylphenoxy)acetic acid, (o-Tolyloxy)acetic acid, 2-Methylphenoxyacetic acid, Acetic acid, (2-methylphenoxy)-, Acetic acid, (o-tolyloxy)-, o-CRESOXYACETIC ACID, 349704_ALDRICH, ARONIS011770, NSC 5293, EINECS 217-517-4, O-METHYLPHENOXYACETIC ACID, NSC5293, AIDS017835, Acide o-methylphenoxyacetique [French], AIDS-017835, ALBB-000800, BRN 1943465, SBB004532

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QJVXBRUGKLCUMY-UHFFFAOYSA-N

• 2-Nitrophenoxyacetic acid
IUPAC Name: 2-(2-nitrophenoxy)acetic acid | CAS Registry Number: 1878-87-1
Synonyms: (2-Nitrophenoxy)acetic acid, 2-NITROPHENOXYACETIC ACID, Oprea1_748771, 2-(2-Nitrophenoxy)acetic acid, ARONIS009917, ALBB-000812, NSC37409, EINECS 217-527-9, NSC 37409, SBB000361, FS000832

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: TYHHDWAHJRRYCU-UHFFFAOYSA-N

• 3-Nitrophenoxyacetic acid
IUPAC Name: 2-(3-nitrophenoxy)acetic acid | CAS Registry Number: 1878-88-2
Synonyms: M-NITROPHENOXYACETIC ACID, (3-Nitrophenoxy)acetic acid, Acetic acid, (3-nitrophenoxy)-, CID74656, EINECS 217-528-4, NSC193418, NSC 193418

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BNRRQAASFDGMMQ-UHFFFAOYSA-N

• 2-Formylcinnamic acid
IUPAC Name: 3-(2-formylphenyl)prop-2-enoic acid | CAS Registry Number: 130036-17-8
Synonyms: 2-Formyl Cinnamic Acid, AGN-PC-00NGKN, ACMC-209x9q, CTK3J2986, CTK8F4263, ANW-47388, AG-D-60904, AG-L-63459, (2E)-3-(2-Formylphenyl)acrylic acid;, 2-Propenoic acid, 3-(2-formylphenyl)-, KB-170524, 2-Propenoic acid,3-(2-formylphenyl)-, (E)- (9CI), 28873-89-4

Molecular Formula: C10H8O3Molecular Weight: 176.168720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZIUMNQBNEUJSSL-UHFFFAOYSA-N

• 3,3-Diphenylpropanol
IUPAC Name: 3,3-di(phenyl)propan-1-ol | CAS Registry Number: 20017-67-8
Synonyms: 3,3-Diphenyl-1-propanol, 1-Propanol, 3,3-diphenyl-, 3,3-DIPHENYLPROPANOL, Benzenepropanol, .gamma.-phenyl-, Benzenepropanol, .beta.-phenyl-, 188972_ALDRICH, NSC74499, EINECS 243-466-2, InChI=1/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H

Molecular Formula: C15H16OMolecular Weight: 212.286940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IDCXQMVSIIJUEH-UHFFFAOYSA-N

• 2,5-Dimethyl-4-(2-thienylaminosulphonyl)furan-3-carboxylic acid
IUPAC Name: 2,5-dimethyl-4-(thiophen-2-ylsulfamoyl)furan-3-carboxylic acid | CAS Registry Number: 306936-40-3
Synonyms: CHEMBL370041, 2,5-Dimethyl-4-(2-Thienylaminosulphonyl)Furan-3-Carboxylic Acid, CTK3J7268, MolPort-027-948-636, AKOS016015114, AJ-46624, AK128975, KB-67570, DB-047868, RT-003698, 3B3-008562, 2,5-Dimethyl-4-(N-(thiophen-2-yl)sulfamoyl)furan-3-carboxylic acid, 2,5-dimethyl-4-[(thiophen-2-yl)sulfamoyl]furan-3-carboxylic acid

Molecular Formula: C11H11NO5S2Molecular Weight: 301.338740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: BSKLZAJYYTUMBV-UHFFFAOYSA-N

• 2-(Trifluoromethyl)cinnamic acid
IUPAC Name: (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid | CAS Registry Number: 2062-25-1
Synonyms: 2-Trifluoromethylcinnamic acid, 233080_ALDRICH, o-(Trifluoromethyl)cinnamic acid, EINECS 218-168-0, SBB000554, (2E)-3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid, 2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-

Molecular Formula: C10H7F3O2Molecular Weight: 216.156590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AMVYAIXPAGBXOM-AATRIKPKSA-N

• 4-(Trifluoromethyl)cinnamic acid
IUPAC Name: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid | CAS Registry Number: 2062-26-2
Synonyms: 4-Trifluoromethylcinnamic acid, 233099_ALDRICH, p-(Trifluoromethyl)cinnamic acid, EINECS 218-169-6, trans-p-(Trifluoromethyl)cinnamic acid, trans-4-(Trifluoromethyl)cinnamic acid, IDI1_008164, CL 243236, ST5308394, D1224, 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, 2-Propenoic acid, 3-(4-(trifluoromethyl)phenyl)-, T5895625, 16642-92-5

Molecular Formula: C10H7F3O2Molecular Weight: 216.156590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ANRMAUMHJREENI-ZZXKWVIFSA-N

• 4-Nitrocinnamic acid
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoate | CAS Registry Number: 619-89-6
Synonyms: ZINC00164538

Molecular Formula: C9H6NO4-Molecular Weight: 192.148240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XMMRNCHTDONGRJ-ZZXKWVIFSA-M

• 1,4-Dibenzyloxybenzene
IUPAC Name: 1,4-bis(phenylmethoxy)benzene | CAS Registry Number: 621-91-0
Synonyms: Hydroquinone dibenzyl ether, 1,4-Bis(benzyloxy)benzene, Oprea1_033290, P-BIS(BENZYLOXY)BENZENE, NSC2206, Benzene, 1,4-bis(phenylmethoxy)-, EINECS 210-714-6, SBB007939, ZINC00992830, FR-0624, AI3-14510, AK-918/41700489

Molecular Formula: C20H18O2Molecular Weight: 290.355720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DYULYMCXVSRUPB-UHFFFAOYSA-N

• 1,5-Dichloropentane
IUPAC Name: 1,5-dichloropentane | CAS Registry Number: 628-76-2
Synonyms: Amylene chloride, Pentamethylene dichloride, 1,5-DICHLOROPENTANE, Pentamethylene chloride, Pentane, 1,5-dichloro-, WLN: G5G, D69602_ALDRICH, NSC 6210, EINECS 211-053-6, NSC6210, BRN 1732340, AI3-16489, LS-101617, TL8004300, 4-01-00-00310 (Beilstein Handbook Reference), InChI=1/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H

Molecular Formula: C5H10Cl2Molecular Weight: 141.038900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LBKDGROORAKTLC-UHFFFAOYSA-N

• 2-Butynoic acid
IUPAC Name: but-2-ynoic acid | CAS Registry Number: 590-93-2
Synonyms: Tetrolic acid, 3-Methylpropiolic acid, 1-Propynecarboxylic acid, Tetrolic acid (8CI), 303666_ALDRICH, CID68535, EINECS 209-695-7, NSC174116, NSC 174116, B187

Molecular Formula: C4H4O2Molecular Weight: 84.073360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LUEHNHVFDCZTGL-UHFFFAOYSA-N

• 2-Bromo-3-phenylacrylaldehyde
IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal | CAS Registry Number: 5443-49-2
Synonyms: Alphabrocine, Bromocinnamal, 2-Bromocinnamaldehyde, alpha-Bromocinnamaldehyde, alpha-Bromocinnamic aldehyde, 2-Propenal, 2-bromo-3-phenyl-, 2-Bromo-3-phenyl-2-propenal, CCRIS 3924, CINNAMALDEHYDE, alpha-BROMO-, 161160_ALDRICH, B 37 (VAN), EINECS 226-637-6, NSC 19806, BRN 1099733, ZINC00000900, (2Z)-2-Bromo-3-phenyl-2-propenal, B 36, B 37, CID5369403, 2-Propenal, 2-bromo-3-phenyl- (9CI)

Molecular Formula: C9H7BrOMolecular Weight: 211.055280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WQRWNOKNRHCLHV-TWGQIWQCSA-N

• 2-Chlorocinnamic acid
IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 3752-25-8
Synonyms: o-Chlorocinnamic acid, (E)-o-Chlorocinnamic acid, CINNAMIC ACID, o-CHLORO-, WLN: QV1U1R BG, ARONIS004782, NSC 4792, EINECS 223-154-2, NSC4792, 2-(2-Chlorophenyl)propenoic acid, 2-[2-Chlorophenyl]propenoic acid, 3-(2-Chlorophenyl)-2-propenoic acid, ALBB-006017, NSC52173, BRN 1365198, EINECS 213-363-7, CID700642, SBB015306, 2-Propenoic acid, 3-(2-chlorophenyl)-, (2E)-3-(2-chlorophenyl)acrylic acid, LS-54044

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KJRRTHHNKJBVBO-AATRIKPKSA-N

• 2-Fluorocinnamic acid
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 451-69-4
Synonyms: o-Fluorocinnamic acid, Cinnamic acid, o-fluoro-, ortho-Fluorocinnamate, 2-Propenoic acid, 3-(2-fluorophenyl)-, 222712_ALDRICH, EINECS 207-195-3, Cinnamic acid, o-fluoro-, (Z)-, NSC73989, BRN 1863963, IVK/1011865, LS-54106, TL8003132, (2E)-3-(2-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2-fluorophenyl)-, (E)-, 0-09-00-00594 (Beilstein Handbook Reference), 20595-29-3

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IOUDZAFBPDDAMK-AATRIKPKSA-N

• 3-Fluorocinnamic acid
IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 458-46-8
Synonyms: m-Fluorocinnamic acid, (E)-m-Fluorocinnamic acid, trans-3-Fluorocinnamic acid, 290483_ALDRICH, JRD-0525, NSC73988, EINECS 207-281-0, EINECS 243-902-1, SBB006621, trans-3-(3-Fluorophenyl)propenoic acid, TL8003182, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(3-fluorophenyl)-, (E)-, 20595-30-6

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RTSIUKMGSDOSTI-SNAWJCMRSA-N

• 3,3',5,5'-Tetraiodo-L-Thyronine
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid | CAS Registry Number: 51-48-9
Synonyms: L-thyroxine, levothyroxine, thyroxine, synthroid, thyroxin, Thyroxine iodine, Levothyroxin, Thyreoideum, Thyratabs, Thyroxinal, Thyrax, Tetraiodothyronine, Thyroxine (l), L-Thyroxin, (-)-Thyroxine, Thryroxine, l-, Laevothyroxinum, Thyroxine (VAN), DL-Thyroxin, Tetramet

Molecular Formula: C15H11I4NO4Molecular Weight: 776.870020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N


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