Molecule card · MolClass #37752
24798625
24798625: 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
- 24798625Mitochondrial Fusion · compound_name
- MolClass ID
- 37752
- InChIKey
- BRTTXYSXBFTPOW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c4ccc(F)cc4(CN3CCN(C2CCCC2)C(CCO)C3)
- Standard InChI
- InChI=1S/C23H33FN4O/c1-17-13-18(2)28(25-17)23-8-7-20(24)14-19(23)15-26-10-11-27(21-5-3-4-6-21)22(16-26)9-12-29/h7-8,13-14,21-22,29H,3-6,9-12,15-16H2,1-2H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2CN3CCN(CC3)C4CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.534 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.08
- 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 · 24798625