Molecule card · MolClass #51894
14722019
14722019: 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
- 14722019Mitochondrial Fusion · compound_name
- MolClass ID
- 51894
- InChIKey
- SKJFQDYGDDOQEC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)n4nnnc4(C(c1ccc(F)cc1)N(Cc2ccc(F)cc2)Cc3ccco3)
- Standard InChI
- InChI=1S/C24H25F2N5O/c1-24(2,3)31-23(27-28-29-31)22(18-8-12-20(26)13-9-18)30(16-21-5-4-14-32-21)15-17-6-10-19(25)11-7-17/h4-14,22H,15-16H2,1-3H3
- Stored Murcko scaffold
- n1n[nH]c(n1)C(c2ccccc2)N(Cc3occc3)Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 437.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.285
- 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 · 14722019