General Information of the Compound
| Compound ID |
CP0468895
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| Compound Name |
2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N-propan-2-yl-4-N-(4-propan-2-yloxyphenyl)benzimidazole-2,4-diamine
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| Structure |
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| Formula |
C28H33ClN4O2
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| Molecular Weight |
493.051
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| Canonical SMILES |
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(OC(C)C)cc3)c2n1C
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| InChI |
InChI=1S/C28H33ClN4O2/c1-17(2)33(21-11-13-22(14-12-21)35-18(3)4)24-10-8-9-23-27(24)32(6)28(30-23)31-26-19(5)15-20(29)16-25(26)34-7/h8-18H,1-7H3,(H,30,31)
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| InChIKey |
ZKQIIFBQMCRXLG-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