General Information of the Compound
| Compound ID |
CP0374236
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| Compound Name |
N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-3,4-difluoro-benzamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H23BrF2N4O2
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| Molecular Weight |
493.352
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| Canonical SMILES |
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H23BrF2N4O2/c1-13(26-21(30)14-2-4-17(24)18(25)10-14)12-28-8-6-16(7-9-28)29-20-5-3-15(23)11-19(20)27-22(29)31/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1
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| InChIKey |
HBVVABXIVRGPET-ZDUSSCGKSA-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