Molecule card · MolClass #47891
17416205
17416205: 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
- 17416205Mitochondrial Fusion · compound_name
- MolClass ID
- 47891
- InChIKey
- GPGPMTJDJOJCNO-ZROIWOOFSA-N
- Canonical SMILES
- Oc1ccc(cc1)C=C2NC(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17-14/h1-9,18H,(H,17,20)/b14-9-
- Stored Murcko scaffold
- c1ccc(cc1)C=C2[CH]c3ccccc3[CH]N2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.145
- 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 · 17416205