General Information of the Compound
| Compound ID |
CP0953888
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| Compound Name |
N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C31H36ClN3O2
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| Molecular Weight |
518.101
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| Canonical SMILES |
CCCN1C(=O)CCc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCCCC4)c3)cc21.Cl
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| InChI |
InChI=1S/C31H35N3O2.ClH/c1-2-17-34-29-21-27(14-11-24(29)13-16-30(34)35)32-31(36)25-12-15-28(23-9-5-3-6-10-23)26(20-25)22-33-18-7-4-8-19-33;/h3,5-6,9-12,14-15,20-21H,2,4,7-8,13,16-19,22H2,1H3,(H,32,36);1H
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| InChIKey |
COTZKEZTEKZOEV-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