Molecule card · MolClass #44561
7965163
7965163: 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
- 7965163Mitochondrial Fusion · compound_name
- MolClass ID
- 44561
- InChIKey
- RPVVCIBJYQQAPR-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)CCNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C)
- Standard InChI
- InChI=1S/C20H26N4O2/c1-5-24(6-2)12-11-21-19(25)17-13-15-18(22(17)3)14-9-7-8-10-16(14)23(4)20(15)26/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,25)
- Stored Murcko scaffold
- n1cc2cc[nH]c2c3ccccc13
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.361
- 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 · 7965163