General Information of the Compound
| Compound ID |
CP0539674
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| Compound Name |
2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-chlorophenyl)-3-methyl-4-N-(oxolan-3-ylmethyl)benzimidazole-2,4-diamine
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| Structure |
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| Formula |
C27H28Cl2N4O2
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| Molecular Weight |
511.453
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| Canonical SMILES |
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(CC3CCOC3)c3ccc(Cl)cc3)c2n1C
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| InChI |
InChI=1S/C27H28Cl2N4O2/c1-17-13-20(29)14-24(34-3)25(17)31-27-30-22-5-4-6-23(26(22)32(27)2)33(15-18-11-12-35-16-18)21-9-7-19(28)8-10-21/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,30,31)
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| InChIKey |
NQXFHIZRUYVNNI-UHFFFAOYSA-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