Basic information
- Standard SMILES
COc1cc(-c2csc3c(/C=C\C(=O)NC4CCNCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C- InChIKey
LWFUXNXEICJHRT-NTMALXAHSA-N- Molecular formula
- C32H32N6O3S
- Average molar mass
- 580.7 g/mol
Names & identifiers
- Preferred name
- n-(4-{4-Amino-7-[(1z)-3-oxo-3-(4-piperidinylamino)-1-propenyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
- IUPAC
- N-[4-[4-amino-7-[(Z)-3-oxo-3-(piperidin-4-ylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
Names & synonyms
SCHEMBL3530046LWFUXNXEICJHRT-NTMALXAHSA-Nn-(4-{4-amino-7-[(1z)-3-oxo-3-(4-piperidinylamino)-1-propenyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
Database identifiers
- PubChem CID
- 68678382
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 978
Related reactions
3 records
Linked notes
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