Basic information
- Standard SMILES
COc1cc(-c2csc3c(/C=C/C(=O)NCCN4CCCCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C- InChIKey
LSASSBXKVIVYQF-ACCUITESSA-N- Molecular formula
- C34H36N6O3S
- Average molar mass
- 608.8 g/mol
Names & identifiers
- Preferred name
- n-{4-[4-Amino-7-((1e)-3-oxo-3-{[2-(1-piperidinyl)ethyl]amino}-1-propenyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1h-indole-2-carboxamide
- IUPAC
- N-[4-[4-amino-7-[(E)-3-oxo-3-(2-piperidin-1-ylethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
Names & synonyms
SCHEMBL3532938LSASSBXKVIVYQF-ACCUITESSA-Nn-{4-[4-amino-7-((1e)-3-oxo-3-{[2-(1-piperidinyl)ethyl]amino}-1-propenyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1h-indole-2-carboxamide
Database identifiers
- PubChem CID
- 18451052
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
5 records
Linked notes
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