General Information of the Compound
| Compound ID |
CP0490328
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| Compound Name |
3-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]-N-methylbenzamide
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| Structure |
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| Formula |
C27H30BrN5O2
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| Molecular Weight |
536.474
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| Canonical SMILES |
CNC(=O)c1cccc(c1)N(C(C)C)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
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| InChI |
InChI=1S/C27H30BrN5O2/c1-16(2)33(20-10-7-9-18(14-20)26(34)29-4)22-12-8-11-21-25(22)32(5)27(30-21)31-24-17(3)13-19(28)15-23(24)35-6/h7-16H,1-6H3,(H,29,34)(H,30,31)
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| InChIKey |
BMWWOJRITZXTJS-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