Molecule card · MolClass #51509
14739859
14739859: 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
- 14739859Mitochondrial Fusion · compound_name
- MolClass ID
- 51509
- InChIKey
- XCROIRTZLZMRII-UHFFFAOYSA-N
- Canonical SMILES
- Cc1onc(c1C(=O)Nc3c(C(N)=O)c2CCCc2s3)c4c(F)cccc4Cl
- Standard InChI
- InChI=1S/C19H15ClFN3O3S/c1-8-13(16(24-27-8)15-10(20)5-3-6-11(15)21)18(26)23-19-14(17(22)25)9-4-2-7-12(9)28-19/h3,5-6H,2,4,7H2,1H3,(H2,22,25)(H,23,26)
- Stored Murcko scaffold
- n1occ([CH]Nc2sc3c(c2)CCC3)c1-c4ccccc4
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.
- 14746143#51395
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 419.859 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.013
- 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 · 14739859