Etrasimod
HIT212664944
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HIT ID: HIT212664944
Cas No: 1206123-37-6
分子式: C26H26F3NO3
分子量: 457.493
常用名: Etrasimod
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 6.448158
IUPAC: 2-[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid
IUPAC: 2-[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid
SMILES: OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
SMILES: OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
InChI key: MVGWUTBTXDYMND-QGZVFWFLSA-N
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