General Information of the Compound
| Compound ID |
CP0970392
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| Compound Name |
cis-N-(1-carbamoyl-3-methyl-butyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
CC(C)CC(NC(=O)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(N)=O
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| InChI |
InChI=1S/C25H26F3N3O2/c1-12(2)7-20(24(29)32)30-25(33)15-8-14(9-15)21-18-10-17(27)11-19(28)23(18)31-22(21)13-3-5-16(26)6-4-13/h3-6,10-12,14-15,20,31H,7-9H2,1-2H3,(H2,29,32)(H,30,33)/t14-,15+,20?
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| InChIKey |
OABOVUZFEVNLCZ-DBIVSCPCSA-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