Molecule card · MolClass #48895
24839831
24839831: 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
- 24839831Mitochondrial Fusion · compound_name
- MolClass ID
- 48895
- InChIKey
- BTVQWIQWMCLARN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc4nc(c1ccc(cc1)NC(=O)CNC2CC2)sc4(c3)
- Standard InChI
- InChI=1S/C19H19N3OS/c1-12-2-9-16-17(10-12)24-19(22-16)13-3-5-15(6-4-13)21-18(23)11-20-14-7-8-14/h2-6,9-10,14,20H,7-8,11H2,1H3,(H,21,23)
- Stored Murcko scaffold
- n1c(sc2ccccc12)-c3ccc(cc3)N[CH]CNC4CC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.024
- 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 · 24839831