General Information of the Compound
| Compound ID |
CP0543983
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| Compound Name |
(S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-(trifluoromethyl)pyridin-4-yl)benzonitrile
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| Structure |
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| Formula |
C19H20F3N3O
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| Molecular Weight |
363.383
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| Canonical SMILES |
CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3N3O/c1-12(2)7-16(24)11-26-17-4-3-13(8-15(17)10-23)14-5-6-25-18(9-14)19(20,21)22/h3-6,8-9,12,16H,7,11,24H2,1-2H3/t16-/m0/s1
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| InChIKey |
TZAOHCCGAGVZHV-INIZCTEOSA-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