Basic information
- Standard SMILES
CN1CCN(c2ccc(OCCCc3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)c(F)c2)CC1- InChIKey
FKESWFYLMOYVRU-UHFFFAOYSA-N- Molecular formula
- C37H37FN6O4S
- Average molar mass
- 680.8 g/mol
Names & identifiers
- Preferred name
- 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(2-fluoro-4-(4-methylpiperazin-1-yl)phenoxy)propyl)picolinic acid
- IUPAC
- 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-[2-fluoro-4-(4-methylpiperazin-1-yl)phenoxy]propyl]pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL2494145FKESWFYLMOYVRU-UHFFFAOYSA-N6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(2-fluoro-4-(4-methylpiperazin-1-yl)phenoxy)propyl)picolinic acid
Database identifiers
- PubChem CID
- 59447675
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
1 records
Compound notes
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