Molecule card · MolClass #48783
24809680
24809680: 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
- 24809680Mitochondrial Fusion · compound_name
- MolClass ID
- 48783
- InChIKey
- GDLRISJAOGNLPD-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(ccc1(N))N=NC3=C(C)N(C)N(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C18H19N5O2/c1-12-17(21-20-13-9-10-15(19)16(11-13)25-3)18(24)23(22(12)2)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3
- Stored Murcko scaffold
- N(=NC1=CNN([CH]1)c2ccccc2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.862
- 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 · 24809680