Molecule card · MolClass #36534
17517249
17517249: 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
- 17517249Mitochondrial Fusion · compound_name
- MolClass ID
- 36534
- InChIKey
- KWHNNQSFQZCLFS-CNHKJKLMSA-N
- Canonical SMILES
- CC=2C=CC3=NC(=C(C=NNc1nc(C)cc(C)n1)C(=O)N3(C=2))Cl
- Standard InChI
- InChI=1S/C16H15ClN6O/c1-9-4-5-13-21-14(17)12(15(24)23(13)8-9)7-18-22-16-19-10(2)6-11(3)20-16/h4-8H,1-3H3,(H,19,20,22)/b18-7+
- Stored Murcko scaffold
- N(=CC1=CN=C2C=CC=CN2[CH]1)Nc3ncccn3
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
- 7
- 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
- 82.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.783 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.014
- 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 · 17517249