Molecule card · MolClass #37035
3717387
3717387: 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
- 3717387Mitochondrial Fusion · compound_name
- MolClass ID
- 37035
- InChIKey
- JAMDVUFFSLYCRN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)n1N2C=Nc4c(C2(=O))c3CCCc3s4
- Standard InChI
- InChI=1S/C15H15N3OS/c1-9-6-7-10(2)18(9)17-8-16-14-13(15(17)19)11-4-3-5-12(11)20-14/h6-8H,3-5H2,1-2H3
- Stored Murcko scaffold
- N1=CN([CH]c2c1sc3c2CCC3)n4cccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.911
- 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 · 3717387