General Information of the Compound
| Compound ID |
CP0442428
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| Compound Name |
N-[2-[[4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C36H35N5O4
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| Molecular Weight |
601.707
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
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| InChI |
InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)
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| InChIKey |
LYPHFRXCVAZTEC-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