Molecule card · MolClass #39207
17511519
17511519: 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
- 17511519Mitochondrial Fusion · compound_name
- MolClass ID
- 39207
- InChIKey
- QMFJXSINIXYHGZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(ccc1N3C(=O)CC(NNC(=O)c2cccnc2)C3(=O))Cl
- Standard InChI
- InChI=1S/C17H15ClN4O3/c1-10-7-12(18)4-5-14(10)22-15(23)8-13(17(22)25)20-21-16(24)11-3-2-6-19-9-11/h2-7,9,13,20H,8H2,1H3,(H,21,24)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NNC2[CH]N([CH]C2)c3ccccc3
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.
- 24788809#41582
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.78 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.73
- 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 · 17511519