Molecule card · MolClass #43920
14739171
14739171: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14739171Mitochondrial Fusion · compound_name
- MolClass ID
- 43920
- InChIKey
- GHAJWLCLZNLXNM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(c2ccc(O)cc2)c4ccc3ccc(C)nc3c4(O)
- Standard InChI
- InChI=1S/C23H21N3O2/c1-14-4-3-5-20(24-14)26-21(16-8-11-18(27)12-9-16)19-13-10-17-7-6-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)
- Stored Murcko scaffold
- n1ccccc1NC(c2ccccc2)c3ccc4cccnc4c3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 3236321#10095
- 828341#10671
- 14737227#43841
- Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(cc1)C(F)(F)F#151179
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.35
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14739171