Molecule card · MolClass #41620
7970651
7970651: 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
- 7970651Mitochondrial Fusion · compound_name
- MolClass ID
- 41620
- InChIKey
- TWPRBPFSHSUVFC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n3nnc2C(=O)N(C=Nc23)CC(=O)N4CCOCC4
- Standard InChI
- InChI=1S/C17H18N6O3/c1-12-2-4-13(5-3-12)23-16-15(19-20-23)17(25)22(11-18-16)10-14(24)21-6-8-26-9-7-21/h2-5,11H,6-10H2,1H3
- Stored Murcko scaffold
- n1nn(c2N=CN([CH]c12)C[CH]N3CCOCC3)-c4ccccc4
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.
- 7971772#41678
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.221
- 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 · 7970651