Molecule card · MolClass #49310
24814165
24814165: 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
- 24814165Mitochondrial Fusion · compound_name
- MolClass ID
- 49310
- InChIKey
- OKIPZGMIHXBQFB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n4cc(c2ccccc2)c3c(ncnc34)N5CCN(C)CC5
- Standard InChI
- InChI=1S/C24H25N5/c1-18-8-10-20(11-9-18)29-16-21(19-6-4-3-5-7-19)22-23(25-17-26-24(22)29)28-14-12-27(2)13-15-28/h3-11,16-17H,12-15H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2c1n(cc2-c3ccccc3)-c4ccccc4)N5CCNCC5
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.
- 24811945#49340
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.475
- 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 · 24814165