Molecule card · MolClass #44342
17505193
17505193: 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
- 17505193Mitochondrial Fusion · compound_name
- MolClass ID
- 44342
- InChIKey
- YNLOOYCLEUBVGB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)NCc3nnc4c2ccccc2c(nn34)c5ccccc5
- Standard InChI
- InChI=1S/C24H19N5O/c1-16-8-7-11-18(14-16)24(30)25-15-21-26-27-23-20-13-6-5-12-19(20)22(28-29(21)23)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,30)
- Stored Murcko scaffold
- n1nc(n2nc(-c3ccccc3)c4ccccc4c12)CN[CH]c5ccccc5
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.
- 17505185#41906
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.802
- 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 · 17505193