Molecule card · MolClass #41220
14727603
14727603: 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
- 14727603Mitochondrial Fusion · compound_name
- MolClass ID
- 41220
- InChIKey
- BDEWGISJDKYNEO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1)C4=NN(c2ccccc2)C5=NN=C(Cc3ccccc3)C(=O)N45
- Standard InChI
- InChI=1S/C24H17N5O2/c30-21(18-12-6-2-7-13-18)22-27-29(19-14-8-3-9-15-19)24-26-25-20(23(31)28(22)24)16-17-10-4-1-5-11-17/h1-15H,16H2
- Stored Murcko scaffold
- N=1N=C2N(N=C([CH]c3ccccc3)N2[CH]C1Cc4ccccc4)c5ccccc5
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.463
- 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 · 14727603