General Information of the Compound
| Compound ID |
CP0043302
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| Compound Name |
1'-[2-(4-Chloro-phenoxymethyl)-1-(2-piperidin-1-yl-ethyl)-1H-indol-3-ylmethyl]-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C33H45ClN4O
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| Molecular Weight |
549.203
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| Canonical SMILES |
Clc1ccc(OCc2c(CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCN2CCCCC2)cc1
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| InChI |
InChI=1S/C33H45ClN4O/c34-27-11-13-29(14-12-27)39-26-33-31(25-36-21-15-28(16-22-36)37-19-7-2-8-20-37)30-9-3-4-10-32(30)38(33)24-23-35-17-5-1-6-18-35/h3-4,9-14,28H,1-2,5-8,15-26H2
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| InChIKey |
RZOMPVHKLSITDV-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