General Information of the Compound
| Compound ID |
CP0444741
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| Compound Name |
8-[4-[2-[4-(4-pyridin-2-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H27N7O
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| Molecular Weight |
477.572
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)-c2ccccn2)cn1
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| InChI |
InChI=1S/C28H27N7O/c36-28-24-8-13-30-27(26(24)31-19-32-28)35-18-20(17-33-35)9-14-34-15-10-22(11-16-34)21-4-6-23(7-5-21)25-3-1-2-12-29-25/h1-8,12-13,17-19,22H,9-11,14-16H2,(H,31,32,36)
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| InChIKey |
IHCQQEZDLLAALX-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