General Information of the Compound
| Compound ID |
CP0726237
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| Compound Name |
5-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thiazolo[5,4-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C16H15F3N6O2S
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| Molecular Weight |
412.397
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2scnc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H15F3N6O2S/c1-8-10(14(27)24-4-2-9(3-5-24)16(17,18)19)6-21-25(8)15-22-12(26)11-13(23-15)28-7-20-11/h6-7,9H,2-5H2,1H3,(H,22,23,26)
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| InChIKey |
FXIOMQBHBDOIQH-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