General Information of the Compound
| Compound ID |
CP0561295
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| Compound Name |
2-cyclopentyl-4-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C26H22F3N3O2
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| Molecular Weight |
465.475
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| Canonical SMILES |
NC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-8-4-3-7-18(23)17-12-21-22(14-32-25(21)31-13-17)16-9-10-19(24(30)33)20(11-16)15-5-1-2-6-15/h3-4,7-15H,1-2,5-6H2,(H2,30,33)(H,31,32)
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| InChIKey |
PRFCIHAKKXSLQM-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