General Information of the Compound
| Compound ID |
CP0891806
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| Compound Name |
N-(1-methyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide oxalate
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| Structure |
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| Formula |
C31H35N3O5
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| Molecular Weight |
529.637
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| Canonical SMILES |
CN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCCCC4)c3)cc21.O=C(O)C(=O)O
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| InChI |
InChI=1S/C29H33N3O.C2H2O4/c1-31-16-8-11-23-12-14-26(20-28(23)31)30-29(33)24-13-15-27(22-9-4-2-5-10-22)25(19-24)21-32-17-6-3-7-18-32;3-1(4)2(5)6/h2,4-5,9-10,12-15,19-20H,3,6-8,11,16-18,21H2,1H3,(H,30,33);(H,3,4)(H,5,6)
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| InChIKey |
ZGHALMZZOFMSPJ-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