Molecule card · MolClass #47703
24798462
24798462: 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
- 24798462Mitochondrial Fusion · compound_name
- MolClass ID
- 47703
- InChIKey
- MVTMEDJGGSLEJJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccn4c(CN(C)CC1Cc2ccccc2(O1))c(nc34)C(=O)N5CCCCC5
- Standard InChI
- InChI=1S/C25H30N4O2/c1-18-9-8-14-29-21(23(26-24(18)29)25(30)28-12-6-3-7-13-28)17-27(2)16-20-15-19-10-4-5-11-22(19)31-20/h4-5,8-11,14,20H,3,6-7,12-13,15-17H2,1-2H3
- Stored Murcko scaffold
- n1c([CH]N2CCCCC2)c(n3ccccc13)CNCC4Oc5ccccc5C4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.02
- 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 · 24798462