Molecule card · MolClass #51202
17401308
17401308: 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
- 17401308Mitochondrial Fusion · compound_name
- MolClass ID
- 51202
- InChIKey
- AFVYNTYQTFVLKP-XMHGGMMESA-N
- Canonical SMILES
- CON=C(c1nonc1(N))N2CCN(CC2)c3ccc(cc3[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C14H16ClN7O4/c1-25-19-14(12-13(16)18-26-17-12)21-6-4-20(5-7-21)10-3-2-9(15)8-11(10)22(23)24/h2-3,8H,4-7H2,1H3,(H2,16,18)/b19-14+
- Stored Murcko scaffold
- n1onc(c1)[CH]N2CCN(c3ccccc3)CC2
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
- 136.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.063
- 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 · 17401308