Molecule card · MolClass #51707
14731516
14731516: 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
- 14731516Mitochondrial Fusion · compound_name
- MolClass ID
- 51707
- InChIKey
- ANEUBQIMGDFSON-UHFFFAOYSA-N
- Canonical SMILES
- C=CCN2C(=O)c4c1CCCCc1sc4(N=C2SCc3csc(C)n3)
- Standard InChI
- InChI=1S/C18H19N3OS3/c1-3-8-21-17(22)15-13-6-4-5-7-14(13)25-16(15)20-18(21)24-10-12-9-23-11(2)19-12/h3,9H,1,4-8,10H2,2H3
- Stored Murcko scaffold
- n1cc2c(nc1SCc3ncsc3)sc4c2CCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 127.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.562 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.671
- 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 · 14731516