General Information of the Compound
| Compound ID |
CP0089404
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| Compound Name |
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(4-(methylamino)piperidin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C27H31ClN6O2
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| Molecular Weight |
507.038
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| Canonical SMILES |
CNC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O
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| InChI |
InChI=1S/C27H31ClN6O2/c1-16-12-20(34-10-7-19(29-2)8-11-34)14-22-25(16)33-26(32-22)24-21(6-9-30-27(24)36)31-15-23(35)17-4-3-5-18(28)13-17/h3-6,9,12-14,19,23,29,35H,7-8,10-11,15H2,1-2H3,(H,32,33)(H2,30,31,36)/t23-/m1/s1
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| InChIKey |
ILKQWXHVEJRPAL-HSZRJFAPSA-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