General Information of the Compound
| Compound ID |
CP0138237
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| Compound Name |
8-[4-[2-[4-[3-(pyrrolidin-1-ylmethyl)-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 |
C29H32F3N7O
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| Molecular Weight |
551.617
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| Canonical SMILES |
FC(F)(F)c1cc(CN2CCCC2)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
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| InChI |
InChI=1S/C29H32F3N7O/c30-29(31,32)24-14-21(17-38-8-1-2-9-38)13-23(15-24)22-5-11-37(12-6-22)10-4-20-16-36-39(18-20)27-26-25(3-7-33-27)28(40)35-19-34-26/h3,7,13-16,18-19,22H,1-2,4-6,8-12,17H2,(H,34,35,40)
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| InChIKey |
LAGKZFNQXIBSDJ-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