General Information of the Compound
| Compound ID |
CP0256259
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| Compound Name |
2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-ylmethyl-1H-indole
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| Structure |
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| Formula |
C22H25ClN2O
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| Molecular Weight |
368.908
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| Canonical SMILES |
Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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| InChIKey |
OUVHCTWMGVFCDT-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