Molecule card · MolClass #51630
14734026
14734026: 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
- 14734026Mitochondrial Fusion · compound_name
- MolClass ID
- 51630
- InChIKey
- YQXZBFZHTWSYND-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c6c3c(NCCCn2ccnc2)ncnc3n(Cc4ccco4)c6(c5ccccc5)
- Standard InChI
- InChI=1S/C29H26N6O/c1-3-9-22(10-4-1)25-26-28(31-14-8-16-34-17-15-30-21-34)32-20-33-29(26)35(19-24-13-7-18-36-24)27(25)23-11-5-2-6-12-23/h1-7,9-13,15,17-18,20-21H,8,14,16,19H2,(H,31,32,33)
- Stored Murcko scaffold
- n1ccn(c1)CCCNc2ncnc3c2c(-c4ccccc4)c(-c5ccccc5)n3Cc6occc6
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 474.557 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.92
- 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 · 14734026