Molecule card · MolClass #51458
14740887
14740887: 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
- 14740887Mitochondrial Fusion · compound_name
- MolClass ID
- 51458
- InChIKey
- NGSLQHCRQHNIAN-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C=C(C(=O)c1cc(ccc12)S(=O)(=O)N(C)C3CCCCC3)C(=O)N5CCc4ccccc45
- Standard InChI
- InChI=1S/C27H31N3O4S/c1-3-29-18-23(27(32)30-16-15-19-9-7-8-12-24(19)30)26(31)22-17-21(13-14-25(22)29)35(33,34)28(2)20-10-5-4-6-11-20/h7-9,12-14,17-18,20H,3-6,10-11,15-16H2,1-2H3
- Stored Murcko scaffold
- S(NC1CCCCC1)c2ccc3NC=C([CH]c3c2)[CH]N4c5ccccc5CC4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 493.62 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.309
- 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 · 14740887