Molecule card · MolClass #37291
7977284
7977284: 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
- 7977284Mitochondrial Fusion · compound_name
- MolClass ID
- 37291
- InChIKey
- ZUNPCULMASNIOY-UHFFFAOYSA-N
- Canonical SMILES
- CCc2c(C)nc3nnc(c1ccccc1)n3(c2(O))
- Standard InChI
- InChI=1S/C14H14N4O/c1-3-11-9(2)15-14-17-16-12(18(14)13(11)19)10-7-5-4-6-8-10/h4-8,19H,3H2,1-2H3
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3cccnc13
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.
- 1174202#16035
- 850295#30727
- 852537#37864
- 22412288#38838
- Cc1ccc(cc1)c1nnc2N=C(C)C=C(C)n21#153311
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.011
- 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 · 7977284