Molecule card · MolClass #37665
24829570
24829570: 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
- 24829570Mitochondrial Fusion · compound_name
- MolClass ID
- 37665
- InChIKey
- WHEVYUMSQZQMPM-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c2ccc(cc2)c6n(c3ccccn3)c4ccccc4[n+]6(c5ccccn5)
- Standard InChI
- InChI=1S/C29H21N4/c1-2-10-22(11-3-1)23-16-18-24(19-17-23)29-32(27-14-6-8-20-30-27)25-12-4-5-13-26(25)33(29)28-15-7-9-21-31-28/h1-21H/q+1
- Stored Murcko scaffold
- n1ccccc1-n2c3ccccc3[n+](-c4ncccc4)c2-c5ccc(cc5)-c6ccccc6
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 8.722
- 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 · 24829570