General Information of the Compound
| Compound ID |
CP0330476
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| Compound Name |
8-[4-[2-[4-(3-pyrimidin-5-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 |
C27H26N8O
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| Molecular Weight |
478.56
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cncnc2)cn1
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| InChI |
InChI=1S/C27H26N8O/c36-27-24-4-8-30-26(25(24)31-18-32-27)35-16-19(13-33-35)5-9-34-10-6-20(7-11-34)21-2-1-3-22(12-21)23-14-28-17-29-15-23/h1-4,8,12-18,20H,5-7,9-11H2,(H,31,32,36)
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| InChIKey |
CYMWJZQYPTVZRX-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