Molecule card · MolClass #50729
17434046
17434046: 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
- 17434046Mitochondrial Fusion · compound_name
- MolClass ID
- 50729
- InChIKey
- BLBOGNWRCZWBRL-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)c1ccc(cc1)NC(Nc2ccc(cc2(C))OC)=S
- Standard InChI
- InChI=1S/C19H24N2OS/c1-5-13(2)15-6-8-16(9-7-15)20-19(23)21-18-11-10-17(22-4)12-14(18)3/h6-13H,5H2,1-4H3,(H2,20,21,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.372
- 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 · 17434046