General Information of the Compound
| Compound ID |
CP0474085
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| Compound Name |
2-(3-chlorophenoxy)-N-methyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)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 |
CN(C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)C(=O)COc1cccc(Cl)c1
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| InChI |
InChI=1S/C26H27ClF3N3O2/c1-31(25(34)18-35-24-4-2-3-21(27)15-24)22-10-12-32(13-11-22)16-19-9-14-33(17-19)23-7-5-20(6-8-23)26(28,29)30/h2-9,14-15,17,22H,10-13,16,18H2,1H3
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| InChIKey |
NRFMYVIQTLQHOP-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