General Information of the Compound
| Compound ID |
CP0043202
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| Compound Name |
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(4-(2-methoxyacetyl)piperazin-1-yl)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C33H40ClN7O4
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| Molecular Weight |
634.181
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| Canonical SMILES |
COCC(=O)N1CCN(CC1)C1CCN(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/C33H40ClN7O4/c1-21-16-25(39-10-7-24(8-11-39)40-12-14-41(15-13-40)29(43)20-45-2)18-27-31(21)38-32(37-27)30-26(6-9-35-33(30)44)36-19-28(42)22-4-3-5-23(34)17-22/h3-6,9,16-18,24,28,42H,7-8,10-15,19-20H2,1-2H3,(H,37,38)(H2,35,36,44)/t28-/m1/s1
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| InChIKey |
CFXKXVRFVROHAJ-MUUNZHRXSA-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