Molecule card · MolClass #47168
17386154
17386154: 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
- 17386154Mitochondrial Fusion · compound_name
- MolClass ID
- 47168
- InChIKey
- SILODKDSVLUJMH-BOPFTXTBSA-N
- Canonical SMILES
- CCn3c(C)cc(C=C2NC(=O)N(Cc1ccccc1)C2(=O))c3(C)
- Standard InChI
- InChI=1S/C19H21N3O2/c1-4-21-13(2)10-16(14(21)3)11-17-18(23)22(19(24)20-17)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3,(H,20,24)/b17-11-
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]NC(=Cc3cc[nH]c3)[CH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.273
- 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 · 17386154