General Information of the Compound
| Compound ID |
CP0913706
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| Compound Name |
1-ethyl-N-(2-hydroxybutyl)-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
CCC(O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
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| InChI |
InChI=1S/C27H29N3O3/c1-3-22(31)18-28-25(32)19-15-16-23-24(17-19)30(4-2)26(29-23)27(33,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,22,31,33H,3-4,18H2,1-2H3,(H,28,32)
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| InChIKey |
LKFSFWHRWPFROA-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