General Information of the Compound
| Compound ID |
CP0545645
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| Compound Name |
4-(dimethylamino)-N-[2-methyl-3-[1-methyl-6-oxo-5-[[3-(prop-2-enoylamino)cyclohexyl]amino]pyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C31H37N5O3
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| Molecular Weight |
527.669
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(NC2CCCC(C2)NC(=O)C=C)c(=O)n(C)c1
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| InChI |
InChI=1S/C31H37N5O3/c1-6-29(37)33-24-10-7-9-23(18-24)32-28-17-22(19-36(5)31(28)39)26-11-8-12-27(20(26)2)34-30(38)21-13-15-25(16-14-21)35(3)4/h6,8,11-17,19,23-24,32H,1,7,9-10,18H2,2-5H3,(H,33,37)(H,34,38)
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| InChIKey |
STEMCUCHNDZGDH-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