General Information of the Compound
| Compound ID |
CP0490516
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((1-(4-methoxyphenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C25H28ClN3O3
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| Molecular Weight |
453.97
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| Canonical SMILES |
COc1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C25H28ClN3O3/c1-31-23-7-5-22(6-8-23)29-14-9-19(17-29)16-28-12-10-21(11-13-28)27-25(30)18-32-24-4-2-3-20(26)15-24/h2-9,14-15,17,21H,10-13,16,18H2,1H3,(H,27,30)
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| InChIKey |
STMKNDVTNDOWMY-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