Molecule card · MolClass #41347
24817110
24817110: 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
- 24817110Mitochondrial Fusion · compound_name
- MolClass ID
- 41347
- InChIKey
- HRKZOCVXWPNZBZ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)Cc2c(nnn2(c1ccc(cc1)OC))C(=O)OC
- Standard InChI
- InChI=1S/C14H15N3O5/c1-20-10-6-4-9(5-7-10)17-11(8-12(18)21-2)13(15-16-17)14(19)22-3/h4-7H,8H2,1-3H3
- Stored Murcko scaffold
- n1nn(cc1)-c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.148
- 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 · 24817110