Molecule card · MolClass #39193
14738311
14738311: 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
- 14738311Mitochondrial Fusion · compound_name
- MolClass ID
- 39193
- InChIKey
- JKTNPXOHYUONCJ-UHFFFAOYSA-N
- Canonical SMILES
- CCCN(CCC)C(=O)CN4C(=O)c1c(ccs1)N3C4(=C(c2ccccc2)SC3=S)
- Standard InChI
- InChI=1S/C22H23N3O2S3/c1-3-11-23(12-4-2)17(26)14-24-20-18(15-8-6-5-7-9-15)30-22(28)25(20)16-10-13-29-19(16)21(24)27/h5-10,13H,3-4,11-12,14H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]c2sccc2N3[CH]SC(c4ccccc4)=C13
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 457.636 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.196
- 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 · 14738311