Molecule card · MolClass #15613
1376805
1376805: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4242905Mitochondrial Fusion · compound_name
- MolClass ID
- 15613
- InChIKey
- CANLWEDRRMMVHQ-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)c2c(N)n(nc2(C1))c3ccccc3)
- Standard InChI
- InChI=1S/C15H17N3O/c1-15(2)8-11-13(12(19)9-15)14(16)18(17-11)10-6-4-3-5-7-10/h3-7H,8-9,16H2,1-2H3
- Stored Murcko scaffold
- n1c2c(cn1-c3ccccc3)[CH]CCC2
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
- 2
- 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
- 60.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.398
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1376805
Mitochondrial Fusion
Dataset #19 · 4242905