Molecule card · MolClass #37135
24828610
24828610: 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
- 24828610Mitochondrial Fusion · compound_name
- MolClass ID
- 37135
- InChIKey
- ONVCBQXNEQCRAV-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4ccccc4(NC(=O)CSC3=Nc1ccccc1C2CC=NN23)
- Standard InChI
- InChI=1S/C19H15N5OS/c20-11-13-5-1-3-7-15(13)22-18(25)12-26-19-23-16-8-4-2-6-14(16)17-9-10-21-24(17)19/h1-8,10,17H,9,12H2,(H,22,25)
- Stored Murcko scaffold
- N1=CCC2c3ccccc3N=C(SC[CH]Nc4ccccc4)N12
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.
- 16953962#44691
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.676
- 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 · 24828610