Molecule card · MolClass #43197
858489
858489: 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
- 858489Mitochondrial Fusion · compound_name
- MolClass ID
- 43197
- InChIKey
- QZQXPZOXGBADOG-LFIBNONCSA-N
- Canonical SMILES
- CC4=C(NC=C2C(=O)NC(=O)N(Cc1ccco1)C2(=O))C(=O)N(c3ccccc3)N4(C)
- Standard InChI
- InChI=1S/C21H19N5O5/c1-13-17(20(29)26(24(13)2)14-7-4-3-5-8-14)22-11-16-18(27)23-21(30)25(19(16)28)12-15-9-6-10-31-15/h3-11,22H,12H2,1-2H3,(H,23,27,30)/b16-11+
- Stored Murcko scaffold
- o1cccc1CN2[CH]N[CH]C(=CNC3=CNN([CH]3)c4ccccc4)[CH]2
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
- 9
- 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
- 115.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.878
- 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 · 858489