FDA批准的配体 - 小分子和化合物库

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钙三醇
- ≥97%
CAS号 : 32222-06-3 Compound CID : 5280453

分子式: C₂₇H₄₄O₃ 分子量: 416.64

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

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

InChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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甲吡酮
- ≥98%
CAS号 : 54-36-4 Compound CID : 4174

分子式: C₁₄H₁₄N₂O 分子量: 226.27

IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one

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

InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N

InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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法曲唑（CGS16949A）
- ≥98%
CAS号 : 102676-47-1 Compound CID : 59693

分子式: C₁₄H₁₃N₃ 分子量: 223.27

IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N

InChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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甲吡酮
- 10mM in DMSO
CAS号 : 54-36-4 Compound CID : 4174

分子式: C₁₄H₁₄N₂O 分子量: 226.27

IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one

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

InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N

InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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