Molecule card · MolClass #36338
3715683
3715683: 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
- 3715683Mitochondrial Fusion · compound_name
- MolClass ID
- 36338
- InChIKey
- IFQGDIWFADYAQZ-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4c(N)nc3c(CC(=O)N3(c2ccccc2(c1ccccc1)))c4(N)
- Standard InChI
- InChI=1S/C20H15N5O/c21-11-15-18(22)14-10-17(26)25(20(14)24-19(15)23)16-9-5-4-8-13(16)12-6-2-1-3-7-12/h1-9H,10H2,(H4,22,23,24)
- Stored Murcko scaffold
- n1cccc2c1N([CH]C2)c3ccccc3-c4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.724
- 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 · 3715683