Molecule card · MolClass #49709
24785187
24785187: 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
- 24785187Mitochondrial Fusion · compound_name
- MolClass ID
- 49709
- InChIKey
- LQILTFSJNUBKIM-UHFFFAOYSA-N
- Canonical SMILES
- Cc4oc(nc4(CN1CCN(CC1)c3ncnc2ccccc23))c6cccc5ccccc56
- Standard InChI
- InChI=1S/C27H25N5O/c1-19-25(30-27(33-19)22-11-6-8-20-7-2-3-9-21(20)22)17-31-13-15-32(16-14-31)26-23-10-4-5-12-24(23)28-18-29-26/h2-12,18H,13-17H2,1H3
- Stored Murcko scaffold
- n1cnc(c2ccccc12)N3CCN(Cc4nc(oc4)-c5cccc6ccccc65)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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.103
- 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 · 24785187