General Information of the Compound
| Compound ID |
CP0539672
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| Compound Name |
2-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methyl-4-N-(4-methylsulfonylphenyl)-4-N-propan-2-ylbenzimidazole-2,4-diamine
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| Structure |
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| Formula |
C26H29BrN4O3S
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| Molecular Weight |
557.514
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| Canonical SMILES |
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(cc3)S(C)(=O)=O)c2n1C
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| InChI |
InChI=1S/C26H29BrN4O3S/c1-16(2)31(19-10-12-20(13-11-19)35(6,32)33)22-9-7-8-21-25(22)30(4)26(28-21)29-24-17(3)14-18(27)15-23(24)34-5/h7-16H,1-6H3,(H,28,29)
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| InChIKey |
TXQMTBHXHRNFMB-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