Molecule card · MolClass #35971
24804409
24804409: 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
- 24804409Mitochondrial Fusion · compound_name
- MolClass ID
- 35971
- InChIKey
- UNIZIMLURLYACS-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(O)=C5C(C1)=Nc3nc2ccccc2n3C5(c4cccnc4)
- Standard InChI
- InChI=1S/C20H18N4O/c1-12-9-15-18(17(25)10-12)19(13-5-4-8-21-11-13)24-16-7-3-2-6-14(16)22-20(24)23-15/h2-8,11-12,19,25H,9-10H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2C3=CCCCC3=Nc4nc5ccccc5n42
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.3
- 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 · 24804409