General Information of the Compound
| Compound ID |
CP0407911
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| Compound Name |
4-methoxy-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 |
C32H31N7O4
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| Molecular Weight |
577.645
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| Canonical SMILES |
COc1ccc(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/C32H31N7O4/c1-6-28(40)36-26-15-23(11-7-19(26)2)35-31-33-17-22-18-39(32(42)38(4)29(22)37-31)27-16-24(12-8-20(27)3)34-30(41)21-9-13-25(43-5)14-10-21/h6-17H,1,18H2,2-5H3,(H,34,41)(H,36,40)(H,33,35,37)
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| InChIKey |
HUXNTBKQZJDQER-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