General Information of the Compound
| Compound ID |
CP0167324
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(4-fluorophenyl)acetamide
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| Structure |
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| Formula |
C21H22F7N3O
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| Molecular Weight |
465.413
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| Canonical SMILES |
CN(C)CCN[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H22F7N3O/c1-31(2)8-7-29-18(14-3-5-17(22)6-4-14)19(32)30-12-13-9-15(20(23,24)25)11-16(10-13)21(26,27)28/h3-6,9-11,18,29H,7-8,12H2,1-2H3,(H,30,32)/t18-/m0/s1
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| InChIKey |
SWGQDPWKPYZEEH-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