General Information of the Compound
| Compound ID |
CP0153395
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| Compound Name |
2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
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| Structure |
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| Formula |
C14H9F3N2OS
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| Molecular Weight |
310.3
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| Canonical SMILES |
FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
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| InChI |
InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
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| InChIKey |
UQVNCGIZTSUQOC-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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