General Information of the Compound
| Compound ID |
CP0965208
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| Compound Name |
rac-4-[5-(2-Methylpyridin-3-yl)-6-{[1-(oxetan-3-yl)piperidin-3-yl]methyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile
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| Structure |
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| Formula |
C27H27N7O2
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| Molecular Weight |
481.56
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| Canonical SMILES |
Cc1ncccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C2COC2)C1
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| InChI |
InChI=1S/C27H27N7O2/c1-18-23(5-2-10-29-18)26-30-24-15-34(21-8-6-19(12-28)7-9-21)31-25(24)27(35)33(26)14-20-4-3-11-32(13-20)22-16-36-17-22/h2,5-10,15,20,22H,3-4,11,13-14,16-17H2,1H3
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| InChIKey |
DKMGVDMKKDKDPU-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