General Information of the Compound
| Compound ID |
CP0970102
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| Compound Name |
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methyl-N-[(1-methylimidazol-4-yl)methyl]cyclobutanecarboxamide
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| Formula |
C25H23F3N4O
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| Molecular Weight |
452.48
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| Canonical SMILES |
Cn1cnc(CNC(=O)C2(C)CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)c1
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| InChI |
InChI=1S/C25H23F3N4O/c1-25(24(33)29-11-18-12-32(2)13-30-18)9-15(10-25)21-19-7-17(27)8-20(28)23(19)31-22(21)14-3-5-16(26)6-4-14/h3-8,12-13,15,31H,9-11H2,1-2H3,(H,29,33)
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| InChIKey |
RCLXYNLLTCKKEW-UHFFFAOYSA-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