General Information of the Compound
| Compound ID |
CP0496758
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylthio)-2-phenylacetamide
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| Structure |
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| Formula |
C21H22F6N2OS
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| Molecular Weight |
464.475
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| Canonical SMILES |
CN(C)CCS[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C21H22F6N2OS/c1-29(2)8-9-31-18(15-6-4-3-5-7-15)19(30)28-13-14-10-16(20(22,23)24)12-17(11-14)21(25,26)27/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,28,30)/t18-/m0/s1
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| InChIKey |
ALCHXFSAGPIQMB-SFHVURJKSA-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