General Information of the Compound
| Compound ID |
CP0485845
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| Compound Name |
3-methyl-7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H25N5O
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| Molecular Weight |
363.465
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc2ncn(C)c(=O)c2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C21H25N5O/c1-14-5-7-16(8-6-14)17-10-18-19(21(27)26(2)13-24-18)20(25-17)23-12-15-4-3-9-22-11-15/h5-8,10,13,15,22H,3-4,9,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1
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| InChIKey |
HQXRVTFLFJNGAV-HNNXBMFYSA-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