Molecule card · MolClass #37122
14745124
14745124: 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
- 14745124Mitochondrial Fusion · compound_name
- MolClass ID
- 37122
- InChIKey
- DDYKVZJUUPVTTG-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCC5(CC1)(Nc2ccccc2c4nc3ccccc3n45)
- Standard InChI
- InChI=1S/C20H21N3/c1-2-8-14-20(13-7-1)22-16-10-4-3-9-15(16)19-21-17-11-5-6-12-18(17)23(19)20/h3-6,9-12,22H,1-2,7-8,13-14H2
- Stored Murcko scaffold
- n1c2ccccc2n3c1-c4ccccc4NC35CCCCCC5
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.064
- 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 · 14745124