General Information of the Compound
| Compound ID |
CP0033258
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| Compound Name |
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C24H20F3N3O
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| Molecular Weight |
423.438
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| Canonical SMILES |
Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N3O/c1-15-5-7-20(13-21(15)24(25,26)27)30-22(31)8-6-16-3-2-4-17(11-16)19-12-18-9-10-28-23(18)29-14-19/h2-5,7,9-14H,6,8H2,1H3,(H,28,29)(H,30,31)
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| InChIKey |
MCCKGEPZYYKAEX-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