FDA批准的配体 - 小分子和化合物库

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5-氨基-[3,4'双吡啶]-6(1H)-酮(Amrinone)
- ≥98%
CAS号 : 60719-84-8 Compound CID : 3698

分子式: C₁₀H₉N₃O 分子量: 187.2

IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one

SMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)N

InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

InChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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他莫西芬
- ≥99%(HPLC)
CAS号 : 10540-29-1

分子式: C₂₆H₂₉NO 分子量: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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巴多昔芬
- ≥98%
CAS号 : 198481-32-2 Compound CID : 154257

分子式: C₃₀H₃₄N₂O₃ 分子量: 470.6

IUPAC Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

SMILES: CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O

InChIKey: UCJGJABZCDBEDK-UHFFFAOYSA-N

InChI: InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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西洛他唑
- ≥99%
CAS号 : 73963-72-1 Compound CID : 2754

分子式: C₂₀H₂₇N₅O₂ 分子量: 369.46

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4

InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N

InChI: InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
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己烯雌酚
- ≥99%
CAS号 : 56-53-1 Compound CID : 448537

分子式: C₁₈H₂₀O₂ 分子量: 268.35

IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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雌三醇
CAS号 : 50-27-1 Compound CID : 5756

分子式: C₁₈H₂₄O₃ 分子量: 288.38

IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N

InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
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雌酮
CAS号 : 53-16-7 Compound CID : 5870

分子式: C₁₈H₂₂O₂ 分子量: 270.37

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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炔雌醇
- ≥98%
CAS号 : 57-63-6 Compound CID : 5991

分子式: C₂₀H₂₄O₂ 分子量: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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氟维司群
- ≥99%
CAS号 : 129453-61-8 Compound CID : 104741

分子式: C₃₂H₄₇F₅O₃S 分子量: 606.77

IUPAC Name: (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

InChIKey: VWUXBMIQPBEWFH-WCCTWKNTSA-N

InChI: InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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奥培米芬
- ≥98%
CAS号 : 128607-22-7 Compound CID : 3036505

分子式: C₂₄H₂₃ClO₂ 分子量: 378.9

IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol

SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl

InChIKey: LUMKNAVTFCDUIE-VHXPQNKSSA-N

InChI: InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
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雷洛昔芬
- ≥98%
CAS号 : 84449-90-1 Compound CID : 5035

分子式: C₂₈H₂₇NO₄S 分子量: 473.58

IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChIKey: GZUITABIAKMVPG-UHFFFAOYSA-N

InChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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奥培米芬
- 10mM in DMSO
CAS号 : 128607-22-7 Compound CID : 3036505

分子式: C₂₄H₂₃ClO₂ 分子量: 378.9

IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol

SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl

InChIKey: LUMKNAVTFCDUIE-VHXPQNKSSA-N

InChI: InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
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