Molecule card · MolClass #41232
14738305
14738305: 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
- 14738305Mitochondrial Fusion · compound_name
- MolClass ID
- 41232
- InChIKey
- VNWNOYWWLZPGBM-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)C(=O)CCCn3c(C)c4C=NN(c2ccccc2)C(=O)c4(c3(C))
- Standard InChI
- InChI=1S/C24H31N5O2/c1-4-26-13-15-27(16-14-26)22(30)11-8-12-28-18(2)21-17-25-29(20-9-6-5-7-10-20)24(31)23(21)19(28)3/h5-7,9-10,17H,4,8,11-16H2,1-3H3
- Stored Murcko scaffold
- N1=Cc2cn(cc2[CH]N1c3ccccc3)CCC[CH]N4CCNCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.536 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.303
- 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 · 14738305