Molecule card · MolClass #50509
17512377
17512377: 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
- 17512377Mitochondrial Fusion · compound_name
- MolClass ID
- 50509
- InChIKey
- FIPCICHNOBBVMY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c3nc5c(c2CCCCc23)c4ncnc(c4s5)S
- Standard InChI
- InChI=1S/C19H15N3S2/c23-18-17-16(20-10-21-18)14-12-8-4-5-9-13(12)15(22-19(14)24-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,20,21,23)
- Stored Murcko scaffold
- n1cnc2c(sc3nc(-c4ccccc4)c5c(c32)CCCC5)c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.515
- 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 · 17512377