General Information of the Compound
| Compound ID |
CP0469154
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| Compound Name |
N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-2,3-dihydroindole-4-carboxamide
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
OCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cccc(c2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-28-22(15-17)30-11-8-19-20(5-2-6-21(19)30)23(32)29-10-12-31/h1-7,9,14-15,31H,8,10-13H2,(H,29,32)
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| InChIKey |
PWFRKFVFXTYALZ-UHFFFAOYSA-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