Molecule card · MolClass #50175
22405195
22405195: 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
- 22405195Mitochondrial Fusion · compound_name
- MolClass ID
- 50175
- InChIKey
- JADJHGIDYHYEFB-JZJYNLBNSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(NN=C2CC(CC=C2(C))C(=C)C)=S
- Standard InChI
- InChI=1S/C18H23N3S/c1-12(2)15-8-7-14(4)17(11-15)20-21-18(22)19-16-9-5-13(3)6-10-16/h5-7,9-10,15H,1,8,11H2,2-4H3,(H2,19,21,22)/b20-17-
- Stored Murcko scaffold
- N(N[CH]Nc1ccccc1)=C2C=CCCC2
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
- 3
- 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
- 68.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.839
- 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 · 22405195