General Information of the Compound
| Compound ID |
CP0527995
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| Compound Name |
4-[[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]methyl]-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
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| Structure |
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| Formula |
C29H31BrN2O3
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| Molecular Weight |
535.482
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3cccc4OCOc34)CC2)cc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C29H31BrN2O3/c1-20(23-9-11-26(30)12-10-23)31-29(33)24-7-5-21(6-8-24)17-22-13-15-32(16-14-22)18-25-3-2-4-27-28(25)35-19-34-27/h2-12,20,22H,13-19H2,1H3,(H,31,33)/t20-/m1/s1
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| InChIKey |
MDYGGCZTDLXSKV-HXUWFJFHSA-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