General Information of the Compound
| Compound ID |
CP0577996
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| Compound Name |
2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-(4-chlorophenyl)-4-N-(2,2-dimethylpropyl)-3-methylbenzimidazole-2,4-diamine;hydrochloride
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| Structure |
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| Formula |
C27H31Cl3N4O
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| Molecular Weight |
533.931
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| Canonical SMILES |
Cl.COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(CC(C)(C)C)c3ccc(Cl)cc3)c2n1C
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| InChI |
InChI=1S/C27H30Cl2N4O.ClH/c1-17-14-19(29)15-23(34-6)24(17)31-26-30-21-8-7-9-22(25(21)32(26)5)33(16-27(2,3)4)20-12-10-18(28)11-13-20;/h7-15H,16H2,1-6H3,(H,30,31);1H
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| InChIKey |
SRVIHFCFRLKCLR-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