Molecule card · MolClass #45151
14745263
14745263: 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
- 14745263Mitochondrial Fusion · compound_name
- MolClass ID
- 45151
- InChIKey
- ZMLWUGVANYFLAE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2nnn(c2(cc1(C)))c5nc(C)nc4c5(c3CCCCc3s4)
- Standard InChI
- InChI=1S/C19H19N5S/c1-10-8-14-15(9-11(10)2)24(23-22-14)18-17-13-6-4-5-7-16(13)25-19(17)21-12(3)20-18/h8-9H,4-7H2,1-3H3
- Stored Murcko scaffold
- n1nn(-c2ncnc3sc4c(c32)CCCC4)c5ccccc15
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.
- 3716447#38167
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.663
- 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 · 14745263