General Information of the Compound
| Compound ID |
CP0534214
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| Compound Name |
3-(3-cyanobenzoyl)-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C31H30N6O2
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| Molecular Weight |
518.621
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(c2)C(=O)c2cccc(c2)C#N)cc(c1)-n1cnc(C)c1
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| InChI |
InChI=1S/C31H30N6O2/c1-21-7-8-25(14-29(21)30(38)24-6-4-5-23(13-24)18-32)31(39)34-26-15-27(36-11-9-35(3)10-12-36)17-28(16-26)37-19-22(2)33-20-37/h4-8,13-17,19-20H,9-12H2,1-3H3,(H,34,39)
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| InChIKey |
SQLOTYNZUHXWAS-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