General Information of the Compound
| Compound ID |
CP0539673
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| Compound Name |
3-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C28H32BrN5O2
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| Molecular Weight |
550.501
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| Canonical SMILES |
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C(=O)N(C)C)c2n1C
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| InChI |
InChI=1S/C28H32BrN5O2/c1-17(2)34(21-11-8-10-19(15-21)27(35)32(4)5)23-13-9-12-22-26(23)33(6)28(30-22)31-25-18(3)14-20(29)16-24(25)36-7/h8-17H,1-7H3,(H,30,31)
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| InChIKey |
XYGJIXLFTLDWBZ-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