Molecule card · MolClass #48822
14742618
14742618: 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
- 14742618Mitochondrial Fusion · compound_name
- MolClass ID
- 48822
- InChIKey
- UTZUVKMOINXZRO-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(Cc4nc5oc1c(ncnc1N2CCOCC2)c5(cc4(CO3)))
- Standard InChI
- InChI=1S/C18H20N4O3/c1-18(2)8-13-11(9-24-18)7-12-14-15(25-17(12)21-13)16(20-10-19-14)22-3-5-23-6-4-22/h7,10H,3-6,8-9H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2oc3nc4c(cc3c12)COCC4)N5CCOCC5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.87
- 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 · 14742618