General Information of the Compound
| Compound ID |
CP0659810
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| Compound Name |
rac-4-[6-{[1-(2-Methoxyethyl)piperidin-3-yl]methyl}-5-(2-methylpyridin-3-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
COCCN1CCCC(Cn2c(-c3cccnc3C)nc3cn(-c4ccc(C#N)cc4)nc3c2=O)C1
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| InChI |
InChI=1S/C27H29N7O2/c1-19-23(6-3-11-29-19)26-30-24-18-34(22-9-7-20(15-28)8-10-22)31-25(24)27(35)33(26)17-21-5-4-12-32(16-21)13-14-36-2/h3,6-11,18,21H,4-5,12-14,16-17H2,1-2H3
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| InChIKey |
BRAGXLRPMZPGLR-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