General Information of the Compound
| Compound ID |
CP0968721
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-cyclobutanecarboxamide
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
CN(CC1(CO)CC1)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C25H25F3N2O2/c1-30(12-25(13-31)6-7-25)24(32)16-8-15(9-16)21-19-10-18(27)11-20(28)23(19)29-22(21)14-2-4-17(26)5-3-14/h2-5,10-11,15-16,29,31H,6-9,12-13H2,1H3/t15-,16-
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| InChIKey |
WRVYKUWIDZDQFP-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