General Information of the Compound
| Compound ID |
CP0451732
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| Compound Name |
3,4,5-trimethoxy-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 |
C34H35N7O6
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| Molecular Weight |
637.697
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)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/C34H35N7O6/c1-8-29(42)38-25-15-23(11-9-19(25)2)37-33-35-17-22-18-41(34(44)40(4)31(22)39-33)26-16-24(12-10-20(26)3)36-32(43)21-13-27(45-5)30(47-7)28(14-21)46-6/h8-17H,1,18H2,2-7H3,(H,36,43)(H,38,42)(H,35,37,39)
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| InChIKey |
XMQIPJFCMVFTNN-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