Molecule card · MolClass #38393
14745901
14745901: 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
- 14745901Mitochondrial Fusion · compound_name
- MolClass ID
- 38393
- InChIKey
- VJSRSMNDPLMVFR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2ncn(c2(cc1(C)))c5ncnc4c5(c3CCCCc3s4)
- Standard InChI
- InChI=1S/C19H18N4S/c1-11-7-14-15(8-12(11)2)23(10-22-14)18-17-13-5-3-4-6-16(13)24-19(17)21-9-20-18/h7-10H,3-6H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2c1sc3c2CCCC3)-n4cnc5ccccc54
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.
- 14744142#39295
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 71.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.965
- 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 · 14745901