Molecule card · MolClass #44459
14735202
14735202: 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
- 14735202Mitochondrial Fusion · compound_name
- MolClass ID
- 44459
- InChIKey
- XQCMTMNJTZSAGR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc1cc(no1)C(=O)NC3=C(C)N(C)N(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C19H22N4O3/c1-12(2)10-15-11-16(21-26-15)18(24)20-17-13(3)22(4)23(19(17)25)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H,20,24)
- Stored Murcko scaffold
- n1occc1[CH]NC2=CNN([CH]2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.252
- 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 · 14735202