General Information of the Compound
| Compound ID |
CP0198290
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| Compound Name |
8-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccncc2)cn1
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| InChI |
InChI=1S/C22H23N7O/c30-22-19-3-9-24-21(20(19)25-15-26-22)29-14-16(13-27-29)4-10-28-11-5-18(6-12-28)17-1-7-23-8-2-17/h1-3,7-9,13-15,18H,4-6,10-12H2,(H,25,26,30)
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| InChIKey |
JOPSCFKAECJOQR-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