Molecule card · MolClass #37189
24839322
24839322: 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
- 24839322Mitochondrial Fusion · compound_name
- MolClass ID
- 37189
- InChIKey
- OKJHMKOIPSGKSQ-UHFFFAOYSA-N
- Canonical SMILES
- CC=3C(=CN4C(=O)C=C(CN(C)Cc1nc(O)c2ccccc2(n1))N=C4(C=3Cl))Cl
- Standard InChI
- InChI=1S/C20H17Cl2N5O2/c1-11-14(21)9-27-17(28)7-12(23-19(27)18(11)22)8-26(2)10-16-24-15-6-4-3-5-13(15)20(29)25-16/h3-7,9H,8,10H2,1-2H3,(H,24,25,29)
- Stored Murcko scaffold
- n1cc2ccccc2nc1CNCC=3N=C4C=CC=CN4[CH]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.
- 24839324#27859
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 81.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.178
- 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 · 24839322