General Information of the Compound
| Compound ID |
CP0439912
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| Compound Name |
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
COc1ccc(C)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C24H24N4O2/c1-16-7-13-22(30-2)21(15-16)28-24(29)25-18-11-8-17(9-12-18)10-14-23-26-19-5-3-4-6-20(19)27-23/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27)(H2,25,28,29)
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| InChIKey |
SQVZNPUDQJQYQK-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