LB42908 hydrochloride
Basic information
- CAS
1049714-62-6- Standard SMILES
CN1CCN(C(=O)c2cn(Cc3cncn3Cc3ccc4c(c3)OCO4)cc2-c2cccc3ccccc23)CC1.Cl- InChIKey
XIZLDRQEDOGKMT-UHFFFAOYSA-N- Molecular formula
- C32H32ClN5O3
- Average molar mass
- 570.1 g/mol
- Monoisotopic mass
- 569.2193676
Names & identifiers
- Preferred name
- LB42908 hydrochloride
- IUPAC
- [1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
Names & synonyms
LB42908 hydrochlorideLB-42908 hydrochlorideM759CWY9DZUNII-M759CWY9DZ1049714-62-61-(1-((1-((2H-1,3-Benzodioxol-5-yl)methyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine hydrochlorideMethanone, (1-((1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(1-naphthalenyl)-1H-pyrrol-3-yl)(4-methyl-1-piperazinyl)-, hydrochloride (1:1)NSC706470CHEMBL1971731NSC-706470Methanone,3-benzodioxol-5- yl)methyl]-1H-imidazol-5-yl]methyl]-4-91-naphthalenyl)-1H-pyrrol-3-yl-, dihydrochloride
Database identifiers
- CAS
1049714-62-6- PubChem CID
- 397854
- ChEMBL
CHEMBL1971731- UNII
- M759CWY9DZ
Properties
Computed structural properties
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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