General Information of the Compound
| Compound ID |
CP0498958
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| Compound Name |
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
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| Structure |
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| Formula |
C20H19ClF3N3
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| Molecular Weight |
393.84
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| Canonical SMILES |
C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
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| InChIKey |
RWGKXZWVCMNMFB-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