Molecule card · MolClass #51897
14722095
14722095: 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
- 14722095Mitochondrial Fusion · compound_name
- MolClass ID
- 51897
- InChIKey
- PCSBZJUCMCGNBW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(c1nnnn1C(C)(C)C)N2CCC(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C21H33N5/c1-16(2)19(20-22-23-24-26(20)21(3,4)5)25-13-11-18(12-14-25)15-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3
- Stored Murcko scaffold
- n1n[nH]c(n1)CN2CCC(Cc3ccccc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.269
- 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 · 14722095