General Information of the Compound
| Compound ID |
CP0261911
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| Compound Name |
(S)-2,4-dimethyl-1-(4-(pyridin-4-yl)-2-(trifluoromethyl)phenoxy)pentan-2-amine
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| Structure |
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| Formula |
C19H23F3N2O
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| Molecular Weight |
352.4
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| Canonical SMILES |
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccncc1
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| InChI |
InChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
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| InChIKey |
UJFBQMHGCCSHRP-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