FDA批准的配体 - 小分子和化合物库

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右美托咪定
- ≥98%
CAS号 : 113775-47-6 Compound CID : 5311068

分子式: C₁₃H₁₆N₂ 分子量: 200.28

IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C

InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N

InChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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双香豆素
- ≥98%
CAS号 : 66-76-2 Compound CID : 54676038

分子式: C₁₉H₁₂O₆ 分子量: 336.3

IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

InChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N

InChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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米氮平
- ≥98%
CAS号 : 61337-67-5 Compound CID : 4205

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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孟鲁司特
- ≥99%
CAS号 : 158966-92-8 Compound CID : 5281040

分子式: C₃₅H₃₆ClNO₃S 分子量: 586.18

IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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达那唑
- ≥98%
CAS号 : 17230-88-5 Compound CID : 28417

分子式: C₂₂H₂₇NO₂ 分子量: 337.46

IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-N

InChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
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孟鲁司特
- 10mM in DMSO
CAS号 : 158966-92-8 Compound CID : 5281040

分子式: C₃₅H₃₆ClNO₃S 分子量: 586.18

IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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