Molecule card · MolClass #44763
14743493
14743493: 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
- 14743493Mitochondrial Fusion · compound_name
- MolClass ID
- 44763
- InChIKey
- NJIMZHHUSRAZHP-UHFFFAOYSA-N
- Canonical SMILES
- CC(Cc1ccccc1)NC(=O)CSC4=Nc2nc5CC(C)(C)OCc5(cc2C(=O)N4(c3ccccc3))
- Standard InChI
- InChI=1S/C29H30N4O3S/c1-19(14-20-10-6-4-7-11-20)30-25(34)18-37-28-32-26-23(27(35)33(28)22-12-8-5-9-13-22)15-21-17-36-29(2,3)16-24(21)31-26/h4-13,15,19H,14,16-18H2,1-3H3,(H,30,34)
- Stored Murcko scaffold
- N=1c2nc3c(cc2[CH]N(C1SC[CH]NCCc4ccccc4)c5ccccc5)COCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 514.641 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.388
- 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 · 14743493