General Information of the Compound
| Compound ID |
CP0452431
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| Compound Name |
(1R)-1-(3-chlorophenyl)-N-((1R)-1-(5-methoxy-1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
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| Structure |
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| Formula |
C21H21ClF3N3O
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| Molecular Weight |
423.866
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| Canonical SMILES |
COc1cc(nn1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H21ClF3N3O/c1-13(15-5-4-6-17(22)11-15)26-14(2)19-12-20(29-3)28(27-19)18-9-7-16(8-10-18)21(23,24)25/h4-14,26H,1-3H3/t13-,14-/m1/s1
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| InChIKey |
IGAOIMCWHVGWEL-ZIAGYGMSSA-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