Molecule card · MolClass #40664
24835614
24835614: 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
- 24835614Mitochondrial Fusion · compound_name
- MolClass ID
- 40664
- InChIKey
- ODENJENIOBCDPH-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c3c(C)nc(NC(=O)C=1CCC(=O)N(N=1)c2ccccc2)s3
- Standard InChI
- InChI=1S/C17H16N4O3S/c1-10-15(11(2)22)25-17(18-10)19-16(24)13-8-9-14(23)21(20-13)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,19,24)
- Stored Murcko scaffold
- n1ccsc1N[CH]C2=NN([CH]CC2)c3ccccc3
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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.023
- 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 · 24835614