Molecule card · MolClass #39899
17512220
17512220: 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
- 17512220Mitochondrial Fusion · compound_name
- MolClass ID
- 39899
- InChIKey
- PJYDTCXVMZBUHX-AWNIVKPZSA-N
- Canonical SMILES
- Cc2ccccc2(C=NNC(=O)Cn1nnc(N)n1)
- Standard InChI
- InChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6+
- Stored Murcko scaffold
- n1nn(nc1)C[CH]NN=Cc2ccccc2
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
- 7
- 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
- 111.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.856
- 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 · 17512220