Molecule card · MolClass #47283
4242790
4242790: 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
- 4242790Mitochondrial Fusion · compound_name
- MolClass ID
- 47283
- InChIKey
- CQBDPSHRSSSTGW-UHFFFAOYSA-N
- Canonical SMILES
- Cc4c5C=NN(c1ccccc1)C(=O)c5(c(C)n4(CCCC(=O)N2CCN(CC2)c3ncccn3))
- Standard InChI
- InChI=1S/C26H29N7O2/c1-19-22-18-29-33(21-8-4-3-5-9-21)25(35)24(22)20(2)32(19)13-6-10-23(34)30-14-16-31(17-15-30)26-27-11-7-12-28-26/h3-5,7-9,11-12,18H,6,10,13-17H2,1-2H3
- Stored Murcko scaffold
- n1cccnc1N2CCN([CH]CCCn3cc4C=NN([CH]c4c3)c5ccccc5)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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 471.555 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.603
- 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 · 4242790