General Information of the Compound
| Compound ID |
CP0565243
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| Compound Name |
7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc2nc[nH]c(=O)c2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C20H23N5O/c1-13-4-6-15(7-5-13)16-9-17-18(20(26)24-12-23-17)19(25-16)22-11-14-3-2-8-21-10-14/h4-7,9,12,14,21H,2-3,8,10-11H2,1H3,(H,22,25)(H,23,24,26)/t14-/m0/s1
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| InChIKey |
LHOLZQIYHWNEJC-AWEZNQCLSA-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