General Information of the Compound
| Compound ID |
CP0164538
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| Compound Name |
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cncnc2)c1
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| InChI |
InChI=1S/C27H26N6O/c1-3-19-8-6-9-21(13-19)30-27(34)33-12-11-24-23(16-33)25(22-10-5-4-7-18(22)2)32-26(31-24)20-14-28-17-29-15-20/h4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,30,34)
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| InChIKey |
WBFZANJQMLFGOG-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