Molecule card · MolClass #41309
24782217
24782217: 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
- 24782217Mitochondrial Fusion · compound_name
- MolClass ID
- 41309
- InChIKey
- YMICVJWGQZVLDM-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)NC2=NN(c1ccc(C)cc1)C(=O)C(C#N)=C2(C)
- Standard InChI
- InChI=1S/C15H14N4O3/c1-9-4-6-11(7-5-9)19-14(20)12(8-16)10(2)13(18-19)17-15(21)22-3/h4-7H,1-3H3,(H,17,18,21)
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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
- 7
- 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
- 94.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.773
- 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 · 24782217