Molecule card · MolClass #38508
14721692
14721692: 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
- 14721692Mitochondrial Fusion · compound_name
- MolClass ID
- 38508
- InChIKey
- LXBHCGHRFHYMCH-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CC(c1ccc(cc1)Cl)n3nc(nc3(N2))N4C(=O)CCC4(=O)
- Standard InChI
- InChI=1S/C16H14ClN5O2/c1-9-8-12(10-2-4-11(17)5-3-10)22-15(18-9)19-16(20-22)21-13(23)6-7-14(21)24/h2-5,8,12H,6-7H2,1H3,(H,18,19,20)
- Stored Murcko scaffold
- n1c(nn2c1NC=CC2c3ccccc3)N4[CH]CC[CH]4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.768 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.329
- 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 · 14721692