General Information of the Compound
| Compound ID |
CP0476637
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| Compound Name |
N,N-diethyl-2-(4-phenoxyanilino)-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C31H37N5O2
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| Molecular Weight |
511.67
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2n(CCN3CCCCC3)c(Nc3ccc(Oc4ccccc4)cc3)nc2c1
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| InChI |
InChI=1S/C31H37N5O2/c1-3-35(4-2)30(37)24-13-18-29-28(23-24)33-31(36(29)22-21-34-19-9-6-10-20-34)32-25-14-16-27(17-15-25)38-26-11-7-5-8-12-26/h5,7-8,11-18,23H,3-4,6,9-10,19-22H2,1-2H3,(H,32,33)
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| InChIKey |
QPWJQTNNGLQOSP-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