Molecule card · MolClass #43450
14722136
14722136: 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
- 14722136Mitochondrial Fusion · compound_name
- MolClass ID
- 43450
- InChIKey
- GTZWHPVQJSDHNZ-WOJGMQOQSA-N
- Canonical SMILES
- O=C(Nc1ccc2[nH]c(nc2(c1))c3ccc4[nH]cnc4(c3))c5cccs5
- Standard InChI
- InChI=1S/C19H11N5OS/c25-19(17-2-1-7-26-17)22-12-4-6-14-16(9-12)24-18(23-14)11-3-5-13-15(8-11)21-10-20-13/h1-10H,(H,22,25)/b18-11+
- Stored Murcko scaffold
- n1c[nH]c2ccc(cc12)-c3nc4cc(ccc4[nH]3)N[CH]c5sccc5
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.598
- 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 · 14722136