General Information of the Compound
| Compound ID |
CP0297970
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| Compound Name |
1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3-yl]-ethyl}-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C28H36ClN3O
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| Molecular Weight |
466.069
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| Canonical SMILES |
Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
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| InChIKey |
PHVWIWDLCSPLSG-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