General Information of the Compound
| Compound ID |
CP0839331
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| Compound Name |
2-(3,5-dimethyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H18F3N5O2S
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| Molecular Weight |
425.436
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| Canonical SMILES |
Cc1nn(-c2nc3ccsc3c(=O)[nH]2)c(C)c1C(=O)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C18H18F3N5O2S/c1-9-13(16(28)25-6-3-11(4-7-25)18(19,20)21)10(2)26(24-9)17-22-12-5-8-29-14(12)15(27)23-17/h5,8,11H,3-4,6-7H2,1-2H3,(H,22,23,27)
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| InChIKey |
NPZWXHJEFSBFKE-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