Molecule card · MolClass #38907
17410115
17410115: 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
- 17410115Mitochondrial Fusion · compound_name
- MolClass ID
- 38907
- InChIKey
- MFCAPTDVCVBYBD-RIYZIHGNSA-N
- Canonical SMILES
- CC2=CC(O)=C(C=NNc1ccccc1)C(=O)O2
- Standard InChI
- InChI=1S/C13H12N2O3/c1-9-7-12(16)11(13(17)18-9)8-14-15-10-5-3-2-4-6-10/h2-8,15-16H,1H3/b14-8+
- Stored Murcko scaffold
- N(=CC=1[CH]OC=CC1)Nc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.81
- 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 · 17410115