General Information of the Compound
| Compound ID |
CP0493781
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| Compound Name |
(1R,2R)-N-[(1S)-2-[4-(4-fluoro-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-2-phenyl-cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H29FN4O2
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| Molecular Weight |
436.531
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| Canonical SMILES |
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
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| InChI |
InChI=1S/C25H29FN4O2/c1-16(27-24(31)20-14-19(20)17-6-3-2-4-7-17)15-29-12-10-18(11-13-29)30-22-9-5-8-21(26)23(22)28-25(30)32/h2-9,16,18-20H,10-15H2,1H3,(H,27,31)(H,28,32)/t16-,19-,20+/m0/s1
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| InChIKey |
FFHSXQLIDDMORH-FFZOFVMBSA-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2