General Information of the Compound
| Compound ID |
CP0090051
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| Compound Name |
8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccccc3)CC2)cn1
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| InChI |
InChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31)
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| InChIKey |
FBNVHXXPQQVJCQ-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