General Information of the Compound
| Compound ID |
CP0374755
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| Compound Name |
N-[3-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H33N7O3
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| Molecular Weight |
527.629
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N(C)CCN(C)C
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| InChI |
InChI=1S/C29H33N7O3/c1-7-26(37)31-20-9-8-10-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-12-11-21(17-25(24)39-6)35(5)14-13-34(3)4/h7-12,15-18H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
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| InChIKey |
HWOFXAPUPWNIIO-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