Molecule card · MolClass #45545
24818569
24818569: 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
- 24818569Mitochondrial Fusion · compound_name
- MolClass ID
- 45545
- InChIKey
- RHVACLMEUQDVAQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1noc2ccccc12)NNC(Nc3ccccc3)=S
- Standard InChI
- InChI=1S/C16H14N4O2S/c21-15(10-13-12-8-4-5-9-14(12)22-20-13)18-19-16(23)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,17,19,23)
- Stored Murcko scaffold
- n1oc2ccccc2c1C[CH]NN[CH]Nc3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.237
- 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 · 24818569