Molecule card · MolClass #42555
14744692
14744692: 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
- 14744692Mitochondrial Fusion · compound_name
- MolClass ID
- 42555
- InChIKey
- WYDAUCJRTJIUBM-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(C)cc3(CNC(=O)C2C1CCC(C1)C2(C(=O)O))
- Standard InChI
- InChI=1S/C15H21N3O3/c1-8-11(7-18(2)17-8)6-16-14(19)12-9-3-4-10(5-9)13(12)15(20)21/h7,9-10,12-13H,3-6H2,1-2H3,(H,16,19)(H,20,21)
- Stored Murcko scaffold
- n1cc(c[nH]1)CN[CH]C2CC3CCC2C3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.992
- 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 · 14744692