Molecule card · MolClass #46953
3717507
3717507: 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
- 3717507Mitochondrial Fusion · compound_name
- MolClass ID
- 46953
- InChIKey
- SWVRAZZDIBWDKV-UHFFFAOYSA-N
- Canonical SMILES
- COCCn3c(C)cc(C(=O)COc1nc2ccccc2(nc1(C)))c3(C)
- Standard InChI
- InChI=1S/C20H23N3O3/c1-13-11-16(15(3)23(13)9-10-25-4)19(24)12-26-20-14(2)21-17-7-5-6-8-18(17)22-20/h5-8,11H,9-10,12H2,1-4H3
- Stored Murcko scaffold
- n1cc(nc2ccccc12)OC[CH]c3cc[nH]c3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.582
- 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 · 3717507