Molecule card · MolClass #51914
14721581
14721581: 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
- 14721581Mitochondrial Fusion · compound_name
- MolClass ID
- 51914
- InChIKey
- FBIJPBLKGNNQOP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(c3ccccc3)c4nnnn4C(C)(C)C
- Standard InChI
- InChI=1S/C24H32N6/c1-18-10-9-13-21(19(18)2)28-14-16-29(17-15-28)22(20-11-7-6-8-12-20)23-25-26-27-30(23)24(3,4)5/h6-13,22H,14-17H2,1-5H3
- Stored Murcko scaffold
- n1n[nH]c(n1)C(c2ccccc2)N3CCN(c4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.552 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.44
- 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 · 14721581