Molecule card · MolClass #37700
14733055
14733055: 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
- 14733055Mitochondrial Fusion · compound_name
- MolClass ID
- 37700
- InChIKey
- YACGSFQFKLDZPH-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(c1cccc(c1)Cl)C(C(=O)C2C4NCCc3ccccc34)n5cncn5
- Standard InChI
- InChI=1S/C23H21ClN4O2/c24-16-6-3-5-15(10-16)18-11-19(29)20(23(30)22(18)28-13-25-12-27-28)21-17-7-2-1-4-14(17)8-9-26-21/h1-7,10,12-13,18,20-22,26H,8-9,11H2
- Stored Murcko scaffold
- n1cnn(c1)C2[CH]C([CH]CC2c3ccccc3)C4NCCc5ccccc54
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.892 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2
- 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 · 14733055