General Information of the Compound
| Compound ID |
CP0968574
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| Compound Name |
trans-N-(1-carbamoylcyclopropyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
NC(=O)C1(NC(=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/C23H20F3N3O2/c24-14-3-1-11(2-4-14)19-18(16-9-15(25)10-17(26)20(16)28-19)12-7-13(8-12)21(30)29-23(5-6-23)22(27)31/h1-4,9-10,12-13,28H,5-8H2,(H2,27,31)(H,29,30)/t12-,13-
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| InChIKey |
DEGZQIPGBAFNIJ-JOCQHMNTSA-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