General Information of the Compound
| Compound ID |
CP0549159
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| Compound Name |
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C33H36N2O2
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| Molecular Weight |
492.663
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
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| InChI |
InChI=1S/C33H36N2O2/c1-24(28-13-15-32(37-2)16-14-28)34-33(36)30-11-7-25(8-12-30)21-26-17-19-35(20-18-26)23-27-9-10-29-5-3-4-6-31(29)22-27/h3-16,22,24,26H,17-21,23H2,1-2H3,(H,34,36)/t24-/m1/s1
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| InChIKey |
UVORFKQMLBPCAQ-XMMPIXPASA-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