Molecule card · MolClass #41958
7978048
7978048: 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
- 7978048Mitochondrial Fusion · compound_name
- MolClass ID
- 41958
- InChIKey
- NOVNOZNKFHLMJY-UHFFFAOYSA-N
- Canonical SMILES
- O=C2Oc1ccccc1c3nccnc23
- Standard InChI
- InChI=1S/C11H6N2O2/c14-11-10-9(12-5-6-13-10)7-3-1-2-4-8(7)15-11/h1-6H
- Stored Murcko scaffold
- n1ccnc-2c1[CH]Oc3ccccc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.178 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.116
- 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 · 7978048