General Information of the Compound
| Compound ID |
CP0573124
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| Compound Name |
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C30H35BrN2O
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| Molecular Weight |
519.527
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc(C)cc3C)CC2)cc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C30H35BrN2O/c1-21-4-7-28(22(2)18-21)20-33-16-14-25(15-17-33)19-24-5-8-27(9-6-24)30(34)32-23(3)26-10-12-29(31)13-11-26/h4-13,18,23,25H,14-17,19-20H2,1-3H3,(H,32,34)/t23-/m1/s1
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| InChIKey |
QZFFLEUBNCIPAZ-HSZRJFAPSA-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