Molecule card · MolClass #43880
17509002
17509002: 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
- 17509002Mitochondrial Fusion · compound_name
- MolClass ID
- 43880
- InChIKey
- SNJVUCGDUCHHFW-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(c(nn2(CC(=O)NCCc1ccccc1))[N+](=O)[O-])[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H15N5O5/c1-10-13(18(21)22)14(19(23)24)16-17(10)9-12(20)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,20)
- Stored Murcko scaffold
- n1cccn1C[CH]NCCc2ccccc2
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
- 3
- 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
- 133.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.307
- 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 · 17509002