Molecule card · MolClass #12750
1915409
1915409: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17413298Mitochondrial Fusion · compound_name
- MolClass ID
- 12750
- InChIKey
- HJJBIQNOJRERBX-ZKBXAQDQSA-N
- Canonical SMILES
- CN4c1ccccc1C(C)(C)C4(=CC=Nc2ccc3ccccc3(c2))
- Standard InChI
- InChI=1S/C23H22N2/c1-23(2)20-10-6-7-11-21(20)25(3)22(23)14-15-24-19-13-12-17-8-4-5-9-18(17)16-19/h4-16H,1-3H3/b22-14-,24-15+
- Stored Murcko scaffold
- N(=CC=C1Nc2ccccc2C1)c3ccc4ccccc4c3
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
- 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
- 15.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.123
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1915409
Mitochondrial Fusion
Dataset #19 · 17413298