Molecule card · MolClass #49380
24809309
24809309: 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
- 24809309Mitochondrial Fusion · compound_name
- MolClass ID
- 49380
- InChIKey
- PLAHKHBHZRLPII-LICLKQGHSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)ON=Cc2ccc(cc2)Br
- Standard InChI
- InChI=1S/C15H12BrNO2/c1-11-3-2-4-13(9-11)15(18)19-17-10-12-5-7-14(16)8-6-12/h2-10H,1H3/b17-10+
- Stored Murcko scaffold
- N(O[CH]c1ccccc1)=Cc2ccccc2
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.
- 1917044#17763
- 17434136#35115
- 17386380#51308
- BTBG 00025#53824
- CD 04007#63002
- CD 03678#80379
- MGH 00233#80557
- CD 03679#80900
- SPB 07594#81418
- CC(C)C(=NOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1#150778
- CCCCCc1ccc(cc1)C(=O)ON=Cc1c(Cl)cccc1Cl#154145
- CC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1#154375
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.165 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.378
- 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 · 24809309