Molecule card · MolClass #43691
14730396
14730396: 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
- 14730396Mitochondrial Fusion · compound_name
- MolClass ID
- 43691
- InChIKey
- IYQQPSBHAYRHNJ-UHFFFAOYSA-N
- Canonical SMILES
- CC3=CC(c1ccc(cc1)Cl)n4nc(NC(=O)c2ccccc2)nc4(N3)
- Standard InChI
- InChI=1S/C19H16ClN5O/c1-12-11-16(13-7-9-15(20)10-8-13)25-19(21-12)23-18(24-25)22-17(26)14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,21,22,23,24,26)
- Stored Murcko scaffold
- n1c(nn2c1NC=CC2c3ccccc3)N[CH]c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.817 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.584
- 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 · 14730396