Molecule card · MolClass #48675
856203
856203: 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
- 856203Mitochondrial Fusion · compound_name
- MolClass ID
- 48675
- InChIKey
- RQMHTJLFWNKCKJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nn1c3nc2c(C(=O)NC(=O)N2(C))n3(C))c4ccccc4
- Standard InChI
- InChI=1S/C17H16N6O2/c1-10-9-12(11-7-5-4-6-8-11)20-23(10)16-18-14-13(21(16)2)15(24)19-17(25)22(14)3/h4-9H,1-3H3,(H,19,24,25)
- Stored Murcko scaffold
- [N]1[CH]N[CH]c2[nH]c(nc12)-n3nc(cc3)-c4ccccc4
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
- 6
- 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
- 85.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.432
- 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 · 856203