Molecule card · MolClass #42307
865736
865736: 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
- 865736Mitochondrial Fusion · compound_name
- MolClass ID
- 42307
- InChIKey
- HDPFRGSCSFYTGD-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3OC(=O)C=C(Cn1ccnc1)c3(cc2(C))
- Standard InChI
- InChI=1S/C15H14N2O2/c1-10-5-13-12(8-17-4-3-16-9-17)7-15(18)19-14(13)6-11(10)2/h3-7,9H,8H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)CC2=C[CH]Oc3ccccc32
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.
- 49668217#32209
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.557
- 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 · 865736