Molecule card · MolClass #38365
14744769
14744769: 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
- 14744769Mitochondrial Fusion · compound_name
- MolClass ID
- 38365
- InChIKey
- DIEODBGIGDIFSG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2nnn(c2(cc1(C)))c5nnc(c3ccccc3)c4ccccc45
- Standard InChI
- InChI=1S/C22H17N5/c1-14-12-19-20(13-15(14)2)27(26-23-19)22-18-11-7-6-10-17(18)21(24-25-22)16-8-4-3-5-9-16/h3-13H,1-2H3
- Stored Murcko scaffold
- n1nc(c2ccccc2c1-c3ccccc3)-n4nnc5ccccc54
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.385
- 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 · 14744769