General Information of the Compound
| Compound ID |
CP0407913
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| Compound Name |
(2S)-2-amino-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]-3-phenylpropanamide
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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 |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1C
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| InChI |
InChI=1S/C33H34N8O3/c1-5-29(42)38-27-16-24(13-11-20(27)2)37-32-35-18-23-19-41(33(44)40(4)30(23)39-32)28-17-25(14-12-21(28)3)36-31(43)26(34)15-22-9-7-6-8-10-22/h5-14,16-18,26H,1,15,19,34H2,2-4H3,(H,36,43)(H,38,42)(H,35,37,39)/t26-/m0/s1
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| InChIKey |
OMQHDTJIWDZYOI-SANMLTNESA-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