Molecule card · MolClass #51612
14733088
14733088: 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
- 14733088Mitochondrial Fusion · compound_name
- MolClass ID
- 51612
- InChIKey
- NQVXHWYUWWTGOD-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cc(C)c5nc(N1CCCC(C1)C(=O)N2CCN(CC2)c3ncccn3)sc5(c4)
- Standard InChI
- InChI=1S/C23H28N6OS/c1-16-13-17(2)20-19(14-16)31-23(26-20)29-8-3-5-18(15-29)21(30)27-9-11-28(12-10-27)22-24-6-4-7-25-22/h4,6-7,13-14,18H,3,5,8-12,15H2,1-2H3
- Stored Murcko scaffold
- n1cccnc1N2CCN([CH]C3CN(c4nc5ccccc5s4)CCC3)CC2
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
- 7
- 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
- 93.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 436.575 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.137
- 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 · 14733088