Molecule card · MolClass #50488
17511632
17511632: 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
- 17511632Mitochondrial Fusion · compound_name
- MolClass ID
- 50488
- InChIKey
- XQFSOUIKNCXTGR-YBFXNURJSA-N
- Canonical SMILES
- CC2Oc3ccccc3(C=C2(C=NNC(=O)c1ccccc1(O)))
- Standard InChI
- InChI=1S/C18H16N2O3/c1-12-14(10-13-6-2-5-9-17(13)23-12)11-19-20-18(22)15-7-3-4-8-16(15)21/h2-12,21H,1H3,(H,20,22)/b19-11+
- Stored Murcko scaffold
- N(=CC1=Cc2ccccc2OC1)N[CH]c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.802
- 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 · 17511632