Molecule card · MolClass #42826
24815571
24815571: 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
- 24815571Mitochondrial Fusion · compound_name
- MolClass ID
- 42826
- InChIKey
- DKPJTHJNIYCFHB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc2ccc(nn12)c3cccc(c3)NC(=O)Cc4cccs4
- Standard InChI
- InChI=1S/C18H15N5OS/c1-12-20-21-17-8-7-16(22-23(12)17)13-4-2-5-14(10-13)19-18(24)11-15-6-3-9-25-15/h2-10H,11H2,1H3,(H,19,24)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3cccc(c3)N[CH]Cc4sccc4
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.
- 24815601#38399
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.055
- 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 · 24815571