General Information of the Compound
| Compound ID |
CP0032710
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| Compound Name |
4-[(3S,4S)-3-(3,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-3,5-difluoro-N-(6-fluoropyridin-2-yl)benzenesulfonamide
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| Formula |
C24H19F8N3O3S
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| Molecular Weight |
581.485
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| Canonical SMILES |
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1
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| InChI |
InChI=1S/C24H19F8N3O3S/c25-16-5-4-13(8-17(16)26)15-11-35(12-24(30,31)32)7-6-20(15)38-23-18(27)9-14(10-19(23)28)39(36,37)34-22-3-1-2-21(29)33-22/h1-5,8-10,15,20H,6-7,11-12H2,(H,33,34)/t15-,20+/m1/s1
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| InChIKey |
ALYSSPGOUMAGSF-QRWLVFNGSA-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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