Molecule card · MolClass #51367
14746350
14746350: 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
- 14746350Mitochondrial Fusion · compound_name
- MolClass ID
- 51367
- InChIKey
- WSHXXAJVMARHCF-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C)CN(C1)C2CCN(CC2)Cc3cccnc3
- Standard InChI
- InChI=1S/C18H29N3/c1-15-10-16(2)13-21(12-15)18-5-8-20(9-6-18)14-17-4-3-7-19-11-17/h3-4,7,11,15-16,18H,5-6,8-10,12-14H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)CN2CCC(N3CCCCC3)CC2
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
- 3
- 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
- 19.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.375
- 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 · 14746350