Molecule card · MolClass #15100
1909147
1909147: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24817465Mitochondrial Fusion · compound_name
- MolClass ID
- 15100
- InChIKey
- DZJGTLTVRVGJIX-UHFFFAOYSA-N
- Canonical SMILES
- NNC3Nc1cccnc1N(CCNC2NCC(CC2Cl)C(F)(F)F)C3(=O)
- Standard InChI
- InChI=1S/C15H13ClF3N7O/c16-9-6-8(15(17,18)19)7-23-11(9)21-4-5-26-13-10(2-1-3-22-13)24-12(25-20)14(26)27/h1-3,6-7H,4-5,20H2,(H,21,23)(H,24,25)
- Stored Murcko scaffold
- n1ccccc1NCCN2[CH]C=Nc3cccnc32
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.759 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.983
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1909147
Mitochondrial Fusion
Dataset #19 · 24817465