General Information of the Compound
| Compound ID |
CP0713507
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| Compound Name |
2-(5-(4-(trifluoromethyl)piperidine-1-carbonyl)thiazol-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H13F3N4O2S2
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| Molecular Weight |
414.434
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| Canonical SMILES |
O=C(c1cnc(-c2nc3ccsc3c(=O)[nH]2)s1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H13F3N4O2S2/c17-16(18,19)8-1-4-23(5-2-8)15(25)10-7-20-14(27-10)12-21-9-3-6-26-11(9)13(24)22-12/h3,6-8H,1-2,4-5H2,(H,21,22,24)
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| InChIKey |
JONUERWOUYIOAT-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