General Information of the Compound
| Compound ID |
CP0499000
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| Compound Name |
4-(2-methylphenyl)-N-(3-propylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C29H29N5O
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| Molecular Weight |
463.585
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| Canonical SMILES |
CCCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cccnc2)c1
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| InChI |
InChI=1S/C29H29N5O/c1-3-8-21-10-6-12-23(17-21)31-29(35)34-16-14-26-25(19-34)27(24-13-5-4-9-20(24)2)33-28(32-26)22-11-7-15-30-18-22/h4-7,9-13,15,17-18H,3,8,14,16,19H2,1-2H3,(H,31,35)
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| InChIKey |
XJWQZSBKUGGHGO-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