General Information of the Compound
| Compound ID |
CP0514458
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| Compound Name |
2-(1-(3-(trifluoromethyl)benzyl)-5-m-tolyl-1H-indol-3-yl)acetamide
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| Structure |
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| Formula |
C25H21F3N2O
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| Molecular Weight |
422.45
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc2n(Cc3cccc(c3)C(F)(F)F)cc(CC(N)=O)c2c1
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| InChI |
InChI=1S/C25H21F3N2O/c1-16-4-2-6-18(10-16)19-8-9-23-22(12-19)20(13-24(29)31)15-30(23)14-17-5-3-7-21(11-17)25(26,27)28/h2-12,15H,13-14H2,1H3,(H2,29,31)
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| InChIKey |
UTJATDJAUULHCS-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