General Information of the Compound
| Compound ID |
CP0969238
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1S)-2-hydroxy-1,2-dimethyl-propyl]cyclobutanecarboxamide
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| Formula |
C25H27F3N2O2
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| Molecular Weight |
444.497
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| Canonical SMILES |
C[C@H](NC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(C)(C)O
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| InChI |
InChI=1S/C25H27F3N2O2/c1-13(25(2,3)32)29-24(31)16-8-14(9-16)10-19-20-11-18(27)12-21(28)23(20)30-22(19)15-4-6-17(26)7-5-15/h4-7,11-14,16,30,32H,8-10H2,1-3H3,(H,29,31)/t13-,14?,16?/m0/s1
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| InChIKey |
JBSXEBGVNAUUAR-HLIUYOAVSA-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