Genz-10850
Basic information
- Standard SMILES
O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1- InChIKey
YYMZSGIXLQPFAC-UHFFFAOYSA-N- Molecular formula
- C26H23N3O
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.18411237
Overview
targets tuberculosis and malaria through inhibition of enoyl reductase; structure in first source
Names & identifiers
- Preferred name
- Genz-10850
- IUPAC
- [4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Names & synonyms
Genz-10850Genz10850RefChem:6398465-(4-(9H-fluoren-9-yl)piperazine-1-carbonyl)-1H-indole5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE[4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone[4-(9H-Fluoren-9-yl)-piperazin-1-yl]-(1H-indol-5-yl)-methanonepiperazine, p3CHEMBL216579SCHEMBL7664894BDBM25796YYMZSGIXLQPFAC-UHFFFAOYSA-N
Show more names
DB04289GEQNS00071646Q27095111
Database identifiers
- PubChem CID
- 447767
- ChEMBL
CHEMBL216579- Nikkaji
- J1.922.108C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 608
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
2 records
Compound notes
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