Molecule card · MolClass #40934
7975663
7975663: 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
- 7975663Mitochondrial Fusion · compound_name
- MolClass ID
- 40934
- InChIKey
- BSLBQWMCQAHUQQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOC(=O)CCNc1nnc(O)nc1(O)
- Standard InChI
- InChI=1S/C10H16N4O4/c1-2-3-6-18-7(15)4-5-11-8-9(16)12-10(17)14-13-8/h2-6H2,1H3,(H,11,13)(H2,12,14,16,17)
- Stored Murcko scaffold
- n1nccnc1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.986
- 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 · 7975663