General Information of the Compound
| Compound ID |
CP0435703
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| Compound Name |
3-[3-(1H-benzimidazol-2-ylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C35H38N6O2
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| Molecular Weight |
574.729
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| Canonical SMILES |
O=C(Nc1cccc(Nc2nc3ccccc3[nH]2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C35H38N6O2/c42-35(37-30-15-9-14-29(26-30)36-34-38-32-16-7-8-17-33(32)39-34)41(21-20-40-22-24-43-25-23-40)19-18-31(27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-17,26,31H,18-25H2,(H,37,42)(H2,36,38,39)
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| InChIKey |
VMWATGHIKLTNHD-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