General Information of the Compound
| Compound ID |
CP0953157
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methyl-5-oxo-pyrrolidin-3-yl)methyl]cyclobutanecarboxamide
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| Formula |
C25H24F3N3O2
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| Molecular Weight |
455.48
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| Canonical SMILES |
CN1CC(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1=O
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| InChI |
InChI=1S/C25H24F3N3O2/c1-31-12-13(6-21(31)32)11-29-25(33)16-7-15(8-16)22-19-9-18(27)10-20(28)24(19)30-23(22)14-2-4-17(26)5-3-14/h2-5,9-10,13,15-16,30H,6-8,11-12H2,1H3,(H,29,33)/t13?,15-,16-
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| InChIKey |
PQXNAYYSXVODQT-QBIRGWOPSA-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