Molecule card · MolClass #51925
14718966
14718966: 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
- 14718966Mitochondrial Fusion · compound_name
- MolClass ID
- 51925
- InChIKey
- UHJNABPQRDPAJY-NRFANRHFSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2N(N=C(C)S2)C(=Nc3ccc(cc3)C(C)(C)C)Nc4nnc(C)s4
- Standard InChI
- InChI=1S/C24H28N6S2/c1-15-7-9-18(10-8-15)21-30(29-17(3)31-21)22(26-23-28-27-16(2)32-23)25-20-13-11-19(12-14-20)24(4,5)6/h7-14,21H,1-6H3,(H,25,26,28)/t21-/m0/s1
- Stored Murcko scaffold
- n1nc(sc1)NC(=Nc2ccccc2)N3N=CSC3c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.652 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.332
- 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 · 14718966