General Information of the Compound
| Compound ID |
CP0561683
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| Compound Name |
(2R)-4-(3,4-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
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| Structure |
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| Formula |
C18H18Cl2F3N
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| Molecular Weight |
376.249
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| Canonical SMILES |
C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H18Cl2F3N/c1-12(2-3-13-6-9-16(19)17(20)10-13)24-11-14-4-7-15(8-5-14)18(21,22)23/h4-10,12,24H,2-3,11H2,1H3/t12-/m1/s1
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| InChIKey |
GGJQHRVUXPWESE-GFCCVEGCSA-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