Molecule card · MolClass #51424
14743715
14743715: 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
- 14743715Mitochondrial Fusion · compound_name
- MolClass ID
- 51424
- InChIKey
- IVOFWPFZNOYPMA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)CC(=O)Nc2cc(C)nn2c4nc3ccccc3s4
- Standard InChI
- InChI=1S/C21H25N5O3S/c1-3-29-20(28)15-8-10-25(11-9-15)13-19(27)23-18-12-14(2)24-26(18)21-22-16-6-4-5-7-17(16)30-21/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,23,27)
- Stored Murcko scaffold
- n1ccc(N[CH]CN2CCCCC2)n1-c3nc4ccccc4s3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.184
- 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 · 14743715