General Information of the Compound
| Compound ID |
CP0562528
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| Compound Name |
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C34H35BrN2O
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| Molecular Weight |
567.571
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C34H35BrN2O/c1-25(29-15-17-33(35)18-16-29)36-34(38)32-13-7-26(8-14-32)23-27-19-21-37(22-20-27)24-28-9-11-31(12-10-28)30-5-3-2-4-6-30/h2-18,25,27H,19-24H2,1H3,(H,36,38)/t25-/m1/s1
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| InChIKey |
CBORGOMEXDFMRJ-RUZDIDTESA-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