Molecule card · MolClass #37519
7970979
7970979: 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
- 7970979Mitochondrial Fusion · compound_name
- MolClass ID
- 37519
- InChIKey
- INXWVCJVINUPKX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CC4C(=O)NCCN4(C(=O)c2cc1C(=O)N3C=CC=C(C)C3(=Nc1s2))
- Standard InChI
- InChI=1S/C20H20N4O5S/c1-3-29-15(25)10-13-17(26)21-6-8-23(13)20(28)14-9-12-18(30-14)22-16-11(2)5-4-7-24(16)19(12)27/h4-5,7,9,13H,3,6,8,10H2,1-2H3,(H,21,26)
- Stored Murcko scaffold
- N=1c2sc(cc2[CH]N3C=CC=CC13)[CH]N4C[CH]NCC4
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.
- 7971340#37764
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- 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
- 136.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 428.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.386
- 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 · 7970979