General Information of the Compound
| Compound ID |
CP0920191
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(3-(dimethylamino)propylideneamino)-2-phenylacetamide
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| Formula |
C22H23F6N3O
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| Molecular Weight |
459.434
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| Canonical SMILES |
CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
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| InChI |
InChI=1S/C22H23F6N3O/c1-31(2)10-6-9-29-19(16-7-4-3-5-8-16)20(32)30-14-15-11-17(21(23,24)25)13-18(12-15)22(26,27)28/h3-5,7-9,11-13,19H,6,10,14H2,1-2H3,(H,30,32)/b29-9+/t19-/m0/s1
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| InChIKey |
DMDOKFVLDOQFCF-HUDRSLDESA-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