General Information of the Compound
| Compound ID |
CP0222484
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| Compound Name |
2-[4-(trifluoromethyl)phenyl]-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C14H11F3N2OS
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| Molecular Weight |
312.316
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1nc2CCCSc2c(=O)[nH]1
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| InChI |
InChI=1S/C14H11F3N2OS/c15-14(16,17)9-5-3-8(4-6-9)12-18-10-2-1-7-21-11(10)13(20)19-12/h3-6H,1-2,7H2,(H,18,19,20)
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| InChIKey |
BTCPLJSFXYRLAO-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