General Information of the Compound
| Compound ID |
CP0165503
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| Compound Name |
2-amino-4-fluoro-5-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
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| Structure |
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| Formula |
C18H17F4N3O4S
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| Molecular Weight |
447.41
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| Canonical SMILES |
Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)
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| InChIKey |
VPVGGXRVWGBGDZ-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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