General Information of the Compound
| Compound ID |
CP0073066
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| Compound Name |
N,N-diethyl-1-(3-methylbutyl)-2-(4-phenoxyanilino)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C29H34N4O2
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| Molecular Weight |
470.617
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Nc3ccc(Oc4ccccc4)cc3)nc2c1
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| InChI |
InChI=1S/C29H34N4O2/c1-5-32(6-2)28(34)22-12-17-27-26(20-22)31-29(33(27)19-18-21(3)4)30-23-13-15-25(16-14-23)35-24-10-8-7-9-11-24/h7-17,20-21H,5-6,18-19H2,1-4H3,(H,30,31)
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| InChIKey |
ILLUCZAFFISCTI-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