General Information of the Compound
| Compound ID |
CP0953162
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)cyclobutanecarboxamide
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| Formula |
C24H25F3N2O3
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| Molecular Weight |
446.469
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N(CCO)CCCO
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| InChI |
InChI=1S/C24H25F3N2O3/c25-17-4-2-14(3-5-17)22-21(19-12-18(26)13-20(27)23(19)28-22)15-10-16(11-15)24(32)29(7-9-31)6-1-8-30/h2-5,12-13,15-16,28,30-31H,1,6-11H2/t15-,16-
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| InChIKey |
IGJCBXDSYOBARH-WKILWMFISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound