Molecule card · MolClass #38209
24809512
24809512: 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
- 24809512Mitochondrial Fusion · compound_name
- MolClass ID
- 38209
- InChIKey
- YGTVEMBXRVGVEN-UHFFFAOYSA-N
- Canonical SMILES
- CC3=C(NC1(C#N)(CCCC1))C(=O)N(c2ccccc2)N3(C)
- Standard InChI
- InChI=1S/C17H20N4O/c1-13-15(19-17(12-18)10-6-7-11-17)16(22)21(20(13)2)14-8-4-3-5-9-14/h3-5,8-9,19H,6-7,10-11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C(=CN2)NC3CCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.226
- 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 · 24809512