Molecule card · MolClass #38347
14727760
14727760: 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
- 14727760Mitochondrial Fusion · compound_name
- MolClass ID
- 38347
- InChIKey
- SVXGCWXJFFXUDN-UHFFFAOYSA-N
- Canonical SMILES
- CC5(C)(Cc1ccccc1C4=C5(C(=O)N(Cc2ccccc2)c3nnnn34))
- Standard InChI
- InChI=1S/C21H19N5O/c1-21(2)12-15-10-6-7-11-16(15)18-17(21)19(27)25(20-22-23-24-26(18)20)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
- Stored Murcko scaffold
- n1nc2n(n1)C=3c4ccccc4CCC3[CH]N2Cc5ccccc5
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.
- 4261306#41856
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.088
- 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 · 14727760