General Information of the Compound
| Compound ID |
CP0482441
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| Compound Name |
3-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]benzonitrile
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| Structure |
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| Formula |
C26H26BrN5O
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| Molecular Weight |
504.432
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| Canonical SMILES |
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C#N)c2n1C
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| InChI |
InChI=1S/C26H26BrN5O/c1-16(2)32(20-9-6-8-18(13-20)15-28)22-11-7-10-21-25(22)31(4)26(29-21)30-24-17(3)12-19(27)14-23(24)33-5/h6-14,16H,1-5H3,(H,29,30)
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| InChIKey |
BKNQLSMKSYTGJW-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