General Information of the Compound
| Compound ID |
CP0236797
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| Compound Name |
8-[4-[2-[4-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]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 |
C30H34F3N7O2
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| Molecular Weight |
581.643
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| Canonical SMILES |
FC(F)(F)c1cc(CCN2CCOCC2)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
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| InChI |
InChI=1S/C30H34F3N7O2/c31-30(32,33)25-16-21(2-7-39-11-13-42-14-12-39)15-24(17-25)23-4-9-38(10-5-23)8-3-22-18-37-40(19-22)28-27-26(1-6-34-28)29(41)36-20-35-27/h1,6,15-20,23H,2-5,7-14H2,(H,35,36,41)
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| InChIKey |
OFBASLHLTNSWOV-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