Molecule card · MolClass #51856
14725238
14725238: 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
- 14725238Mitochondrial Fusion · compound_name
- MolClass ID
- 51856
- InChIKey
- RRLGGVIHPNVPDU-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc3c(N)c2c1CCCCc1c(nc2s3)N4CCCCC4
- Standard InChI
- InChI=1S/C17H20N4S/c18-10-13-15(19)14-11-6-2-3-7-12(11)16(20-17(14)22-13)21-8-4-1-5-9-21/h1-9,19H2
- Stored Murcko scaffold
- n1c2sccc2c3c(c1N4CCCCC4)CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.662
- 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 · 14725238