Molecule card · MolClass #39525
24798999
24798999: 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
- 24798999Mitochondrial Fusion · compound_name
- MolClass ID
- 39525
- InChIKey
- RMWWRRSZFPEIAZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCN(CC1(CCO))Cc3nc2CCCCc2s3
- Standard InChI
- InChI=1S/C17H29N3OS/c1-13(2)20-9-8-19(11-14(20)7-10-21)12-17-18-15-5-3-4-6-16(15)22-17/h13-14,21H,3-12H2,1-2H3
- Stored Murcko scaffold
- n1c(sc2c1CCCC2)CN3CCNCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.498 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.734
- 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 · 24798999