General Information of the Compound
| Compound ID |
CP0326479
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| Compound Name |
8-[4-(1-propan-2-ylpiperidin-4-yl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H22N6O
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| Molecular Weight |
338.415
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| Canonical SMILES |
CC(C)N1CCC(CC1)c1cnn(c1)-c1nccc2c1nc[nH]c2=O
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| InChI |
InChI=1S/C18H22N6O/c1-12(2)23-7-4-13(5-8-23)14-9-22-24(10-14)17-16-15(3-6-19-17)18(25)21-11-20-16/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,20,21,25)
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| InChIKey |
WXDMSMYTZQAHRC-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