8-Desaminobatracylin
Basic information
- CAS
35970-06-0- Standard SMILES
O=C1c2ccccc2C2=Nc3ccccc3CN12- InChIKey
HERDZZROLGGPBU-UHFFFAOYSA-N- Molecular formula
- C15H10N2O
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.07931295
Overview
structure in first source
Names & identifiers
- Preferred name
- 8-Desaminobatracylin
- IUPAC
- 10H-isoindolo[1,2-b]quinazolin-12-one
- English name
- 8-desaminobatracylin
- Molecular formula
- C15H10N2O
- Molecular weight
- 234.2527
Names & synonyms
isoindolo[1,2-b]quinazolin-12(10h)-one8-Desaminobatracylin35970-06-0Isoindolo(1,2-b)quinazolin-12(10H)-oneDTXSID70957395RefChem:107058DTXCID60138533610H-Isoindolo[1,2-b]quinazolin-12-oneCHEMBL326173AK-105/40832965
Database identifiers
- CAS
35970-06-0- PubChem CID
- 169740
- DTXSID
DTXSID70957395- ChEMBL
CHEMBL326173- Nikkaji
- J622.603E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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