General Information of the Compound
| Compound ID |
CP0571928
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| Compound Name |
5-methyl-3-(2-pyridin-3-ylethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C17H16F3N3O2S
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| Molecular Weight |
383.395
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| Canonical SMILES |
Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3cccnc3)c(=O)c12
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| InChI |
InChI=1S/C17H16F3N3O2S/c1-11-10-26-15-13(11)14(24)22(7-4-12-3-2-6-21-9-12)16(25)23(15)8-5-17(18,19)20/h2-3,6,9-10H,4-5,7-8H2,1H3
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| InChIKey |
MDBTWNXPDIIYLG-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