General Information of the Compound
| Compound ID |
CP0014270
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| Compound Name |
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,5-difluorophenyl)-2-phenylacetamide
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| Structure |
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| Formula |
C23H15F8N3OS
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| Molecular Weight |
533.444
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| Canonical SMILES |
Fc1ccc(F)c(NC(=O)[C@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)c1
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| InChI |
InChI=1S/C23H15F8N3OS/c24-15-6-7-17(25)18(11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1
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| InChIKey |
MLUCBNZUVZVZSJ-LJQANCHMSA-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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