Molecule card · MolClass #36414
24781010
24781010: 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
- 24781010Mitochondrial Fusion · compound_name
- MolClass ID
- 36414
- InChIKey
- BTZZPTBSNISTHE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C(=O)CCCn1cc(cn1)[N+](=O)[O-])c(C)c2Cl
- Standard InChI
- InChI=1S/C12H14ClN5O3/c1-8-12(13)9(2)17(15-8)11(19)4-3-5-16-7-10(6-14-16)18(20)21/h6-7H,3-5H2,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]CCCn2nccc2
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.
- 24785364#36180
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.725 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.145
- 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 · 24781010