Molecule card · MolClass #37839
3711690
3711690: 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
- 3711690Mitochondrial Fusion · compound_name
- MolClass ID
- 37839
- InChIKey
- MFCLCOINRKWJOT-UHFFFAOYSA-N
- Canonical SMILES
- CCCCn3c1nc4ccccc4(nc1c2C(=N)OC(C)=Nc23)
- Standard InChI
- InChI=1S/C17H17N5O/c1-3-4-9-22-16-13(15(18)23-10(2)19-16)14-17(22)21-12-8-6-5-7-11(12)20-14/h5-8,18H,3-4,9H2,1-2H3
- Stored Murcko scaffold
- N1=CO[CH]c2c1[nH]c3nc4ccccc4nc32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.122
- 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 · 3711690