General Information of the Compound
| Compound ID |
CP0966148
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| Compound Name |
2-(4-(4-(trifluoromethyl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H15F3N4O2S
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| Molecular Weight |
408.405
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| Canonical SMILES |
O=C(c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C18H15F3N4O2S/c19-18(20,21)11-2-6-25(7-3-11)17(27)10-1-5-22-13(9-10)15-23-12-4-8-28-14(12)16(26)24-15/h1,4-5,8-9,11H,2-3,6-7H2,(H,23,24,26)
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| InChIKey |
MSDAMIKVJYQXEZ-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