Molecule card · MolClass #43627
863815
863815: 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
- 863815Mitochondrial Fusion · compound_name
- MolClass ID
- 43627
- InChIKey
- VQNPOIBYCSPPHR-ZBFHGGJFSA-N
- Canonical SMILES
- O=C3C4ON=C(c1ccccc1Cl)C4(C(=O)N3(Cc2ccccc2))
- Standard InChI
- InChI=1S/C18H13ClN2O3/c19-13-9-5-4-8-12(13)15-14-16(24-20-15)18(23)21(17(14)22)10-11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16+/m1/s1
- Stored Murcko scaffold
- N=1OC2[CH]N([CH]C2C1c3ccccc3)Cc4ccccc4
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.761 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.218
- 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 · 863815