General Information of the Compound
| Compound ID |
CP0066249
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| Compound Name |
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCCCC2)cn1
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| InChI |
InChI=1S/C17H20N6O/c24-17-14-4-6-18-16(15(14)19-12-20-17)23-11-13(10-21-23)5-9-22-7-2-1-3-8-22/h4,6,10-12H,1-3,5,7-9H2,(H,19,20,24)
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| InChIKey |
SSZGYIZGRDDQEH-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