Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(CCP(=O)(O)O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1- InChIKey
UCTVJIYCKKYTFW-UHFFFAOYSA-N- Molecular formula
- C30H34N7O4P
- Average molar mass
- 587.6 g/mol
Names & identifiers
- Preferred name
- [2-(4-{4-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenylcarbamoyl]-benzyl}-piperazin-1-yl)-ethyl]-phosphonic acid
- IUPAC
- 2-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]ethylphosphonic acid
Names & synonyms
SCHEMBL3181102UCTVJIYCKKYTFW-UHFFFAOYSA-N[2-(4-{4-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenylcarbamoyl]-benzyl}-piperazin-1-yl)-ethyl]-phosphonic acid
Database identifiers
- PubChem CID
- 9873184
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 893
Related reactions
2 records
Compound notes
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