Molecule card · MolClass #38119
7971925
7971925: 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
- 7971925Mitochondrial Fusion · compound_name
- MolClass ID
- 38119
- InChIKey
- RHCGHKASEVWCKZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1n3c(O)nc2c(nc(CC(C)C)nc23)C(N)=O
- Standard InChI
- InChI=1S/C17H19N5O3/c1-9(2)8-12-19-13(15(18)23)14-16(20-12)22(17(24)21-14)10-6-4-5-7-11(10)25-3/h4-7,9H,8H2,1-3H3,(H2,18,23)(H,21,24)
- Stored Murcko scaffold
- n1cnc2c(ncn2-c3ccccc3)c1
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.
- 21314-05-6#8344
- 26666415#26047
- 85147302#27104
- 7970826#37495
- 4249529#37719
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.244
- 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 · 7971925