General Information of the Compound
| Compound ID |
CP0411319
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| Compound Name |
N-[3-[[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H31N7O3
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| Molecular Weight |
501.591
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)C1CCN(C)CC1
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| InChI |
InChI=1S/C27H31N7O3/c1-4-25(35)29-20-6-5-7-21(17-20)30-27(36)33-24-10-13-28-26(32-24)31-22-9-8-19(16-23(22)37-3)18-11-14-34(2)15-12-18/h4-10,13,16-18H,1,11-12,14-15H2,2-3H3,(H,29,35)(H3,28,30,31,32,33,36)
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| InChIKey |
BEVNNPWOPWBYBX-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