General Information of the Compound
| Compound ID |
CP0543174
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| Compound Name |
1-(1H-benzimidazol-2-yl)-3-(4-phenylbutyl)urea
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| Structure |
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| Formula |
C18H20N4O
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| Molecular Weight |
308.385
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| Canonical SMILES |
O=C(NCCCCc1ccccc1)Nc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H20N4O/c23-18(19-13-7-6-10-14-8-2-1-3-9-14)22-17-20-15-11-4-5-12-16(15)21-17/h1-5,8-9,11-12H,6-7,10,13H2,(H3,19,20,21,22,23)
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| InChIKey |
QYUDXFBOQGFKEH-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