Molecule card · MolClass #44346
7966852
7966852: 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
- 7966852Mitochondrial Fusion · compound_name
- MolClass ID
- 44346
- InChIKey
- KCLXGEMGMBJJNP-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)C3(C)(CCC(=O)N3(Cc2cccnc2))
- Standard InChI
- InChI=1S/C19H27N3O2/c1-14-5-7-16(8-6-14)21-18(24)19(2)10-9-17(23)22(19)13-15-4-3-11-20-12-15/h3-4,11-12,14,16H,5-10,13H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- n1cccc(c1)CN2[CH]CCC2[CH]NC3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.009
- 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 · 7966852