Molecule card · MolClass #40402
4243404
4243404: 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
- 4243404Mitochondrial Fusion · compound_name
- MolClass ID
- 40402
- InChIKey
- GFTNXPVXWMLQCP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)C(=O)Nc2cnn(c2)Cc3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C15H12Cl2N4O2/c1-9-4-14(20-23-9)15(22)19-12-6-18-21(8-12)7-10-2-3-11(16)5-13(10)17/h2-6,8H,7H2,1H3,(H,19,22)
- Stored Murcko scaffold
- n1occc1[CH]Nc2cnn(c2)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.188 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.723
- 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 · 4243404