Molecule card · MolClass #49181
24820084
24820084: 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
- 24820084Mitochondrial Fusion · compound_name
- MolClass ID
- 49181
- InChIKey
- ZVLDOCMMDDSEFS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1noc2ncnc(c12)N3CCN(CC3)c4cccc(c4)Cl
- Standard InChI
- InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3
- Stored Murcko scaffold
- n1oc2ncnc(c2c1)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.785 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.326
- 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 · 24820084