General Information of the Compound
| Compound ID |
CP0562037
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| Compound Name |
8-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H22N8O
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| Molecular Weight |
390.451
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| Canonical SMILES |
Cn1cc(CN2CCC(CC2)c2cnn(c2)-c2nccc3c2nc[nH]c3=O)cn1
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| InChI |
InChI=1S/C20H22N8O/c1-26-10-14(8-24-26)11-27-6-3-15(4-7-27)16-9-25-28(12-16)19-18-17(2-5-21-19)20(29)23-13-22-18/h2,5,8-10,12-13,15H,3-4,6-7,11H2,1H3,(H,22,23,29)
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| InChIKey |
JJUBVVYZQHPFMF-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