Molecule card · MolClass #37056
14744436
14744436: 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
- 14744436Mitochondrial Fusion · compound_name
- MolClass ID
- 37056
- InChIKey
- ZTOTWGKXKZHRDV-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCCC3(C1)(NC(c4c2CCCCc2sc4(N3))=S)
- Standard InChI
- InChI=1S/C16H22N2S2/c1-10-5-4-8-16(9-10)17-14(19)13-11-6-2-3-7-12(11)20-15(13)18-16/h10,18H,2-9H2,1H3,(H,17,19)
- Stored Murcko scaffold
- s1c2NC3(N[CH]c2c4c1CCCC4)CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.108
- 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 · 14744436