General Information of the Compound
| Compound ID |
CP0970632
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| Compound Name |
trans-N-(2-amino-1,1-dimethyl-2-oxo-ethyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
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| Formula |
C23H22F3N3O2
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| Molecular Weight |
429.442
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| Canonical SMILES |
CC(C)(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(N)=O
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| InChI |
InChI=1S/C23H22F3N3O2/c1-23(2,22(27)31)29-21(30)13-7-12(8-13)18-16-9-15(25)10-17(26)20(16)28-19(18)11-3-5-14(24)6-4-11/h3-6,9-10,12-13,28H,7-8H2,1-2H3,(H2,27,31)(H,29,30)/t12-,13-
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| InChIKey |
ULGIUVYLTABSOP-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