General Information of the Compound
| Compound ID |
CP0399941
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| Compound Name |
(+/-)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin-1-yl)cyclopropanone
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| Structure |
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| Formula |
C26H31BrN2O
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| Molecular Weight |
467.451
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| Canonical SMILES |
Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C2CC2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H31BrN2O/c27-23-9-7-20(8-10-23)18-28-15-11-22(12-16-28)26(21-5-2-1-3-6-21)13-4-14-29(19-26)24-17-25(24)30/h1-3,5-10,22,24H,4,11-19H2
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| InChIKey |
CIBZRZOTARLCOQ-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