Molecule card · MolClass #41723
14744372
14744372: 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
- 14744372Mitochondrial Fusion · compound_name
- MolClass ID
- 41723
- InChIKey
- ZTNDSERYCXZWOP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)Nc2cc(ccc2n3cncn3)C(F)(F)F
- Standard InChI
- InChI=1S/C17H13F3N4O2/c1-26-13-5-2-11(3-6-13)16(25)23-14-8-12(17(18,19)20)4-7-15(14)24-10-21-9-22-24/h2-10H,1H3,(H,23,25)
- Stored Murcko scaffold
- n1cnn(c1)-c2ccccc2N[CH]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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.117
- 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 · 14744372