Molecule card · MolClass #36730
847143
847143: 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
- 847143Mitochondrial Fusion · compound_name
- MolClass ID
- 36730
- InChIKey
- HWTATQYLAHBDFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nnc(Nc1ccc2c(c1)ncn2(C))c4ccccc34
- Standard InChI
- InChI=1S/C17H15N5/c1-11-13-5-3-4-6-14(13)17(21-20-11)19-12-7-8-16-15(9-12)18-10-22(16)2/h3-10H,1-2H3,(H,19,21)
- Stored Murcko scaffold
- n1nc(Nc2ccc3[nH]cnc3c2)c4ccccc4c1
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
- 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
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.06
- 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 · 847143