Molecule card · MolClass #47808
24828334
24828334: 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
- 24828334Mitochondrial Fusion · compound_name
- MolClass ID
- 47808
- InChIKey
- ZQRGYPIJZHGLHD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)OCCCN1C(=O)c2ccccc2(N=C1(NN))
- Standard InChI
- InChI=1S/C14H20N4O2/c1-10(2)20-9-5-8-18-13(19)11-6-3-4-7-12(11)16-14(18)17-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.136
- 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 · 24828334