4-Cyano-2,3-dihydro-indole-1-carboxylic acid 3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzylamide

HCID 67980751
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Basic information

Standard SMILES
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)N4CCc5c(C#N)cccc54)c3)cc2C1
InChIKey
DPYQBASTYQLBBZ-UHFFFAOYSA-N
Molecular formula
C28H27N5O2
Average molar mass
465.5 g/mol

Names & identifiers

Preferred name
4-Cyano-2,3-dihydro-indole-1-carboxylic acid 3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzylamide
IUPAC
4-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide

Names & synonyms

SCHEMBL9951099CHEMBL3680802DPYQBASTYQLBBZ-UHFFFAOYSA-NBDBM120002US8697911, 2014-cyano-2,3-dihydro-indole-1-carboxylic acid 3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzylamide

Database identifiers

PubChem CID
67980751
ChEMBL
CHEMBL3680802

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
88.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
35

Related reactions

1 records
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Compound notes

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