General Information of the Compound
| Compound ID |
CP0500842
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| Compound Name |
2-(3-chlorophenoxy)-1-(4-(1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrol-3-ylamino)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C23H22ClF3N4O2
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| Molecular Weight |
478.902
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)-n1ccc(NC2CCN(CC2)C(=O)COc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C23H22ClF3N4O2/c24-17-2-1-3-20(12-17)33-15-22(32)30-9-6-18(7-10-30)29-19-8-11-31(14-19)21-5-4-16(13-28-21)23(25,26)27/h1-5,8,11-14,18,29H,6-7,9-10,15H2
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| InChIKey |
OZPYRLKQTNYVIA-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