Molecule card · MolClass #45087
17510610
17510610: 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
- 17510610Mitochondrial Fusion · compound_name
- MolClass ID
- 45087
- InChIKey
- ZJZYNORWRUFCMG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)CCn3c(C)c(cc3(c2ccccc2))C(C)=O
- Standard InChI
- InChI=1S/C23H30N2O2/c1-16-9-11-20(12-10-16)24-23(27)13-14-25-17(2)21(18(3)26)15-22(25)19-7-5-4-6-8-19/h4-8,15-16,20H,9-14H2,1-3H3,(H,24,27)
- Stored Murcko scaffold
- c1ccc(cc1)-c2cccn2CC[CH]NC3CCCCC3
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
- 3
- 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
- 51.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.773
- 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 · 17510610