General Information of the Compound
| Compound ID |
CP0946497
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| Compound Name |
1'-(2-(3-chlorophenyl)-2-(4-(2-methoxyethyl)piperazin-1-yl)ethyl)-1,4'-bipiperidine
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| Structure |
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| Formula |
C25H41ClN4O
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| Molecular Weight |
449.083
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| Canonical SMILES |
COCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C25H41ClN4O/c1-31-19-18-27-14-16-30(17-15-27)25(22-6-5-7-23(26)20-22)21-28-12-8-24(9-13-28)29-10-3-2-4-11-29/h5-7,20,24-25H,2-4,8-19,21H2,1H3
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| InChIKey |
LRQRVAKLQMICHT-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