Molecule card · MolClass #43564
14722909
14722909: 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
- 14722909Mitochondrial Fusion · compound_name
- MolClass ID
- 43564
- InChIKey
- TZICAIJAWXTEJT-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)CC(C)(C)Cc2nc(O)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C21H29N3O2/c1-14-8-10-15(11-9-14)22-19(25)13-21(2,3)12-18-23-17-7-5-4-6-16(17)20(26)24-18/h4-7,14-15H,8-13H2,1-3H3,(H,22,25)(H,23,24,26)
- Stored Murcko scaffold
- n1cc2ccccc2nc1CCC[CH]NC3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.689
- 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 · 14722909