Molecule card · MolClass #41520
4256340
4256340: 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
- 4256340Mitochondrial Fusion · compound_name
- MolClass ID
- 41520
- InChIKey
- XSJMJAPDFCLNSX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N4C(N)=C(c3nc2ccccc2n3(C))SC4=S
- Standard InChI
- InChI=1S/C18H16N4S2/c1-11-7-9-12(10-8-11)22-16(19)15(24-18(22)23)17-20-13-5-3-4-6-14(13)21(17)2/h3-10H,19H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1C=3S[CH]N(C3)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 104.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.248
- 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 · 4256340