General Information of the Compound
| Compound ID |
CP0573873
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| Compound Name |
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]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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| Structure |
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| Formula |
C33H31N7O5
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| Molecular Weight |
605.655
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| Canonical SMILES |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
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| InChI |
InChI=1S/C33H31N7O5/c1-5-29(41)37-25-15-23(9-6-19(25)2)36-32-34-17-22-18-40(33(43)39(4)30(22)38-32)26-16-24(10-7-20(26)3)35-31(42)21-8-11-27-28(14-21)45-13-12-44-27/h5-11,14-17H,1,12-13,18H2,2-4H3,(H,35,42)(H,37,41)(H,34,36,38)
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| InChIKey |
XDMQCUFOFSCUBC-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