General Information of the Compound
| Compound ID |
CP0463551
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| Compound Name |
7-(4-methylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[4,3-d]pyrimidin-5-amine
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| Structure |
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| Formula |
C20H23N5
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| Molecular Weight |
333.439
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc2ncncc2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C20H23N5/c1-14-4-6-16(7-5-14)18-9-19-17(12-22-13-24-19)20(25-18)23-11-15-3-2-8-21-10-15/h4-7,9,12-13,15,21H,2-3,8,10-11H2,1H3,(H,23,25)/t15-/m0/s1
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| InChIKey |
CCYQRHUBQPXAQK-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