Molecule card · MolClass #40139
7975487
7975487: 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
- 7975487Mitochondrial Fusion · compound_name
- MolClass ID
- 40139
- InChIKey
- YNOFHGVXNIYTNJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(C)n(C(=O)CSc1nncn1(C))c3ccccc23
- Standard InChI
- InChI=1S/C15H16N4OS/c1-10-11(2)19(13-7-5-4-6-12(10)13)14(20)8-21-15-17-16-9-18(15)3/h4-7,9H,8H2,1-3H3
- Stored Murcko scaffold
- n1nc(SC[CH]n2ccc3ccccc32)[nH]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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.265
- 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 · 7975487