Molecule card · MolClass #38071
17508271
17508271: 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
- 17508271Mitochondrial Fusion · compound_name
- MolClass ID
- 38071
- InChIKey
- CIEPKKMXGPILDI-UHFFFAOYSA-N
- Canonical SMILES
- CC36(c1ccccc1C(c2ccccc23)C5C(=O)N(c4cccnc4)C(=O)C56)
- Standard InChI
- InChI=1S/C24H18N2O2/c1-24-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)24)20-21(24)23(28)26(22(20)27)14-7-6-12-25-13-14/h2-13,19-21H,1H3
- Stored Murcko scaffold
- n1cccc(c1)N2[CH]C3C([CH]2)C4c5ccccc5C3c6ccccc64
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.
- 24806959#31007
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.819
- 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 · 17508271