General Information of the Compound
| Compound ID |
CP0823435
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| Compound Name |
6-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C16H16F3N7O2
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| Molecular Weight |
395.345
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2[nH]ncc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H16F3N7O2/c1-8-10(14(28)25-4-2-9(3-5-25)16(17,18)19)7-21-26(8)15-22-12-11(6-20-24-12)13(27)23-15/h6-7,9H,2-5H2,1H3,(H2,20,22,23,24,27)
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| InChIKey |
JTSRUHITDLKOCL-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