General Information of the Compound
| Compound ID |
CP0528368
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C26H30ClN3O2
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| Molecular Weight |
451.998
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| Canonical SMILES |
Cc1cc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccccc1
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| InChI |
InChI=1S/C26H30ClN3O2/c1-19-15-21(20(2)30(19)24-8-4-3-5-9-24)17-29-13-11-23(12-14-29)28-26(31)18-32-25-10-6-7-22(27)16-25/h3-10,15-16,23H,11-14,17-18H2,1-2H3,(H,28,31)
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| InChIKey |
PWKUWNFLEPPUMD-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