General Information of the Compound
| Compound ID |
CP0410352
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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]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C32H29N7O5
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| Molecular Weight |
591.628
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| Canonical SMILES |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc3OCOc3c2)ccc1C
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| InChI |
InChI=1S/C32H29N7O5/c1-5-28(40)36-24-13-22(9-6-18(24)2)35-31-33-15-21-16-39(32(42)38(4)29(21)37-31)25-14-23(10-7-19(25)3)34-30(41)20-8-11-26-27(12-20)44-17-43-26/h5-15H,1,16-17H2,2-4H3,(H,34,41)(H,36,40)(H,33,35,37)
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| InChIKey |
HOCSWNVDRQDVLL-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