Molecule card · MolClass #51758
14729771
14729771: 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
- 14729771Mitochondrial Fusion · compound_name
- MolClass ID
- 51758
- InChIKey
- FZCLCZFKPUJXFM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(C)c1N2CCN(CC2)c3ccc4nnc(n4(n3))C(F)(F)F
- Standard InChI
- InChI=1S/C18H19F3N6/c1-12-4-3-5-13(2)16(12)26-10-8-25(9-11-26)15-7-6-14-22-23-17(18(19,20)21)27(14)24-15/h3-7H,8-11H2,1-2H3
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)N3CCN(c4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.32
- 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 · 14729771