Molecule card · MolClass #51237
17387979
17387979: 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
- 17387979Mitochondrial Fusion · compound_name
- MolClass ID
- 51237
- InChIKey
- SKJLXRJWQHETDB-QINSGFPZSA-N
- Canonical SMILES
- CCCN3C(=O)C(=Cc1ccc(c(C)c1)N2CCCC2)NC3=S
- Standard InChI
- InChI=1S/C18H23N3OS/c1-3-8-21-17(22)15(19-18(21)23)12-14-6-7-16(13(2)11-14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,23)/b15-12-
- Stored Murcko scaffold
- [N]1[CH]NC([CH]1)=Cc2ccc(cc2)N3CCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.461 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.383
- 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 · 17387979