General Information of the Compound
| Compound ID |
CP0552358
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| Compound Name |
4-(dimethylamino)-N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C33H34N8O3
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| Molecular Weight |
590.688
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O
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| InChI |
InChI=1S/C33H34N8O3/c1-7-29(42)37-27-16-24(12-8-20(27)2)36-32-34-18-23-19-41(33(44)40(6)30(23)38-32)28-17-25(13-9-21(28)3)35-31(43)22-10-14-26(15-11-22)39(4)5/h7-18H,1,19H2,2-6H3,(H,35,43)(H,37,42)(H,34,36,38)
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| InChIKey |
MEACEXWWIHZWNQ-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