Molecule card · MolClass #38138
858932
858932: 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
- 858932Mitochondrial Fusion · compound_name
- MolClass ID
- 38138
- InChIKey
- DLPOGPNKULDLLF-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCC4(CC1)(C(C#N)=C(N)Oc3c2c(C)cc(C)nc2sc34)
- Standard InChI
- InChI=1S/C19H22N4OS/c1-4-23-7-5-19(6-8-23)13(10-20)17(21)24-15-14-11(2)9-12(3)22-18(14)25-16(15)19/h9H,4-8,21H2,1-3H3
- Stored Murcko scaffold
- n1cccc2c1sc3c2OC=CC34CCNCC4
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.
- 17401796#27837
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.233
- 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 · 858932