Molecule card · MolClass #39626
24812783
24812783: 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
- 24812783Mitochondrial Fusion · compound_name
- MolClass ID
- 39626
- InChIKey
- FODHYZAOUNDDPV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C1CCC(CC1)CN3C(=O)c2c(ccs2)N=C3SCC4=CC(=O)N5C=C(C=CC5(=N4))Cl
- Standard InChI
- InChI=1S/C23H21ClN4O4S2/c24-15-5-6-18-25-16(9-19(29)27(18)11-15)12-34-23-26-17-7-8-33-20(17)21(30)28(23)10-13-1-3-14(4-2-13)22(31)32/h5-9,11,13-14H,1-4,10,12H2,(H,31,32)
- Stored Murcko scaffold
- N1=C(SCC=2N=C3C=CC=CN3[CH]C2)N([CH]c4sccc14)CC5CCCCC5
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 156.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 517.023 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.577
- 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 · 24812783