General Information of the Compound
| Compound ID |
CP0474088
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-(1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)ethyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C26H27ClF3N3O2
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| Molecular Weight |
505.968
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| Canonical SMILES |
CC(N1CCC(CC1)NC(=O)COc1cccc(Cl)c1)c1ccn(c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H27ClF3N3O2/c1-18(19-9-12-33(16-19)23-7-5-20(6-8-23)26(28,29)30)32-13-10-22(11-14-32)31-25(34)17-35-24-4-2-3-21(27)15-24/h2-9,12,15-16,18,22H,10-11,13-14,17H2,1H3,(H,31,34)
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| InChIKey |
KECSVTDSTFIBIO-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