Molecule card · MolClass #39341
846232
846232: 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
- 846232Mitochondrial Fusion · compound_name
- MolClass ID
- 39341
- InChIKey
- SECOUIRYEHHHFS-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2ncc(cc2(c1))n3cnnn3
- Standard InChI
- InChI=1S/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H
- Stored Murcko scaffold
- n1ncn(n1)-c2cnc3ccccc3c2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 197.196 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.879
- 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 · 846232