Molecule card · MolClass #44140
22412660
22412660: 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
- 22412660Mitochondrial Fusion · compound_name
- MolClass ID
- 44140
- InChIKey
- SDCMHPPKMQZPPJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)N2C=Nc3ccccc3(C2)
- Standard InChI
- InChI=1S/C14H12N2/c1-2-7-13(8-3-1)16-10-12-6-4-5-9-14(12)15-11-16/h1-9,11H,10H2
- Stored Murcko scaffold
- N1=CN(c2ccccc2)Cc3ccccc13
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.
- RB 00030#80577
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.331
- 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 · 22412660