Molecule card · MolClass #52545

24812303

24812303: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24812303Mitochondrial Fusion · compound_name
MolClass ID: 52545
InChIKey: OLCYHHWTRAHHMI-UHFFFAOYSA-N
Canonical SMILES: Cc3ccc(NC(N(Cc1ccco1)C(C)c2cccs2)=S)c(c3)Cl
Standard InChI: InChI=1S/C19H19ClN2OS2/c1-13-7-8-17(16(20)11-13)21-19(24)22(12-15-5-3-9-23-15)14(2)18-6-4-10-25-18/h3-11,14H,12H2,1-2H3,(H,21,24)
Stored Murcko scaffold: o1cccc1CN([CH]Nc2ccccc2)Cc3sccc3

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.

24812268#49579
24812269#49618
24812165#49619
24812508#49782
14734118#51620
24812272#52543
24812519#52551

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 88.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 390.953 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.018; 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 · 24812303