Molecule card · MolClass #50736

24784745

24784745: 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: 24784745Mitochondrial Fusion · compound_name
MolClass ID: 50736
InChIKey: FYFMMYDSPMPQTP-UHFFFAOYSA-N
Canonical SMILES: Cc2cccc(C)c2(NC(NCCSc1ccc(cc1)Cl)=S)
Standard InChI: InChI=1S/C17H19ClN2S2/c1-12-4-3-5-13(2)16(12)20-17(21)19-10-11-22-15-8-6-14(18)7-9-15/h3-9H,10-11H2,1-2H3,(H2,19,20,21)
Stored Murcko scaffold: S(c1ccccc1)CCN[CH]Nc2ccccc2

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.

24793709#49569
22416008#49856
22415427#49874
22415423#49875
17505546#50691
17432169#50815
24790601#50895
17412312#51013
24783132#51284
14736500#51567
14735134#51597
14733692#51636
22415671#52557
22415955#52558
17432557#52565
22415462#52571
24790600#52572

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 81.45 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 350.932 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.254; 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 · 24784745