General Information of the Compound
| Compound ID |
CP0211551
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| Compound Name |
1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)piperazine
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| Structure |
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| Formula |
C23H29BrClN3O
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| Molecular Weight |
478.862
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| Canonical SMILES |
Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1
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| InChI |
InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2
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| InChIKey |
UTGUYHARYZFXKR-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