General Information of the Compound
| Compound ID |
CP0196547
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| Compound Name |
1'-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3-ylmethyl]-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C27H34ClN3O
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| Molecular Weight |
452.042
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| Canonical SMILES |
Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C27H34ClN3O/c1-29-26-8-4-3-7-24(26)25(27(29)20-32-23-11-9-21(28)10-12-23)19-30-17-13-22(14-18-30)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-20H2,1H3
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| InChIKey |
VXWFKWYIVABMRT-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