General Information of the Compound
| Compound ID |
CP0970581
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| Compound Name |
trans-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]piperidine-4-carboxamide
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| Formula |
C25H24F3N3O2
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| Molecular Weight |
455.48
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| Canonical SMILES |
NC(=O)C1CCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1
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| InChI |
InChI=1S/C25H24F3N3O2/c26-17-3-1-13(2-4-17)22-21(19-11-18(27)12-20(28)23(19)30-22)15-9-16(10-15)25(33)31-7-5-14(6-8-31)24(29)32/h1-4,11-12,14-16,30H,5-10H2,(H2,29,32)/t15-,16-
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| InChIKey |
VBOISNVFWDCYDU-WKILWMFISA-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