General Information of the Compound
| Compound ID |
CP0528369
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| Compound Name |
2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C24H26ClN3O2
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| Molecular Weight |
423.944
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| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3cccc(c3)-n3cccc3)CC2)c1
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| InChI |
InChI=1S/C24H26ClN3O2/c25-20-6-4-8-23(16-20)30-18-24(29)26-21-9-13-27(14-10-21)17-19-5-3-7-22(15-19)28-11-1-2-12-28/h1-8,11-12,15-16,21H,9-10,13-14,17-18H2,(H,26,29)
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| InChIKey |
FBHJAUBQAWIZFE-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