General Information of the Compound
| Compound ID |
CP0953056
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(5-oxopyrrolidin-3-yl)methyl]cyclobutanecarboxamide
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| Formula |
C25H24F3N3O2
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| Molecular Weight |
455.48
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| Canonical SMILES |
O=C1CC(CNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CN1
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| InChI |
InChI=1S/C25H24F3N3O2/c26-17-3-1-15(2-4-17)23-19(20-9-18(27)10-21(28)24(20)31-23)7-13-5-16(6-13)25(33)30-12-14-8-22(32)29-11-14/h1-4,9-10,13-14,16,31H,5-8,11-12H2,(H,29,32)(H,30,33)
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| InChIKey |
KHBQPCMGARYEFD-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