WHO基本药物配体 - 小分子和化合物库

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依鲁替尼 (PCI-32765)
- ≥98%
CAS号: 936563-96-1

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5

IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

InChI: 1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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氯丙嗪
- ≥95%
CAS号: 50-53-3

分子式: C₁₇H₁₉ClN₂S 分子量: 318.9

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI: 1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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多巴胺
CAS号: 51-61-6

分子式: C₈H₁₁NO₂ 分子量: 153.18

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol

SMILES: C1=CC(=C(C=C1CCN)O)O

InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI: 1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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Fluphenazine
- ≥98%
CAS号: 69-23-8

分子式: C₂₂H₂₆F₃N₃OS 分子量: 437.53

IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N

InChI: 1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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帕利哌酮
- 2mM in DMSO
CAS号: 144598-75-4

分子式: C₂₃H₂₇FN₄O₃ 分子量: 426.48

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChIKey: PMXMIIMHBWHSKN-UHFFFAOYSA-N

InChI: 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
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