Molecule card · MolClass #49561
24794178
24794178: 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
- 24794178Mitochondrial Fusion · compound_name
- MolClass ID
- 49561
- InChIKey
- QWPLZBDOGLSULZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C14H14Cl3N3O2/c1-9(2)20(13(21)14(15,16)17)8-11-18-12(19-22-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- Stored Murcko scaffold
- n1ocnc1-c2ccccc2
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.
- Oxalamine citrate salt#1363
- 1987743#15254
- 3043026#15586
- 843610#27909
- 852003#47527
- CD 02761#62020
- SPB 00514#63678
- [ClH-].NC(=[NH2+])SCc1onc(n1)c1ccc(Cl)cc1#150786
- CCN(CC)CCc1onc(n1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O#155122
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.639 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.694
- 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 · 24794178