General Information of the Compound
| Compound ID |
CP0402067
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| Compound Name |
5-(azetidine-1-carbonyl)-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H22F3N3O3S
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| Molecular Weight |
465.497
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| Canonical SMILES |
CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCC3)c2c(=O)[nH]c1=O
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| InChI |
InChI=1S/C22H22F3N3O3S/c1-12(2)11-28-20-17(18(29)26-21(28)31)16(19(30)27-8-5-9-27)15(32-20)10-13-6-3-4-7-14(13)22(23,24)25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,26,29,31)
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| InChIKey |
HJKOMDGDQNVWIO-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