General Information of the Compound
| Compound ID |
CP0851401
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| Compound Name |
N-(2-Oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C29H32ClN3O2
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| Molecular Weight |
490.047
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| Canonical SMILES |
Cl.O=C1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCCCC4)c3)cc2N1
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| InChI |
InChI=1S/C29H31N3O2.ClH/c33-28-11-7-10-22-12-14-25(19-27(22)31-28)30-29(34)23-13-15-26(21-8-3-1-4-9-21)24(18-23)20-32-16-5-2-6-17-32;/h1,3-4,8-9,12-15,18-19H,2,5-7,10-11,16-17,20H2,(H,30,34)(H,31,33);1H
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| InChIKey |
NSBJHJFUNQJINR-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