General Information of the Compound
| Compound ID |
CP0137739
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| Compound Name |
2-(4-cyanopyridin-3-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
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| Structure |
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| Formula |
C29H26N6O
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| Molecular Weight |
474.568
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cnccc2C#N)c1
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| InChI |
InChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-12-26-25(18-35)27(23-10-5-4-7-19(23)2)34-28(33-26)24-17-31-13-11-21(24)16-30/h4-11,13,15,17H,3,12,14,18H2,1-2H3,(H,32,36)
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| InChIKey |
PHLWFZAXCSGRRG-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