General Information of the Compound
| Compound ID |
CP0447343
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| Compound Name |
4-(dimethylamino)-N-[2-methyl-3-[1-methyl-6-oxo-5-[4-(prop-2-enoylamino)piperidin-1-yl]pyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C30H35N5O3
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| Molecular Weight |
513.642
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(N2CCC(CC2)NC(=O)C=C)c(=O)n(C)c1
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| InChI |
InChI=1S/C30H35N5O3/c1-6-28(36)31-23-14-16-35(17-15-23)27-18-22(19-34(5)30(27)38)25-8-7-9-26(20(25)2)32-29(37)21-10-12-24(13-11-21)33(3)4/h6-13,18-19,23H,1,14-17H2,2-5H3,(H,31,36)(H,32,37)
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| InChIKey |
LEXTYQUWGVDOMZ-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