Molecule card · MolClass #43665
17504387
17504387: 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
- 17504387Mitochondrial Fusion · compound_name
- MolClass ID
- 43665
- InChIKey
- UZCGTEYJNIWDGR-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)N(O)C3N(NC(=O)Nc2cccc1ccccc12)C(=S)SC3(C)(C)
- Standard InChI
- InChI=1S/C18H21N5O3S2/c1-18(2)14(23(26)16(25)19-3)22(17(27)28-18)21-15(24)20-13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14,26H,1-3H3,(H,19,25)(H2,20,21,24)
- Stored Murcko scaffold
- S1[CH]N(N[CH]Nc2cccc3ccccc32)CC1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 154.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 419.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.445
- 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 · 17504387