General Information of the Compound
| Compound ID |
CP0734278
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| Compound Name |
2-methyl-2-(1-(1-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)propanenitrile
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| Structure |
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| Formula |
C19H20N6O2S
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| Molecular Weight |
396.476
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| Canonical SMILES |
CC(C)(C#N)C1CCN(C(=O)c2cnn(-c3nc4ccsc4c(=O)[nH]3)c2)CC1
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| InChI |
InChI=1S/C19H20N6O2S/c1-19(2,11-20)13-3-6-24(7-4-13)17(27)12-9-21-25(10-12)18-22-14-5-8-28-15(14)16(26)23-18/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,22,23,26)
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| InChIKey |
RCPOENFCFBHKPZ-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