Structure of molecule 48943

Molecule card · MolClass #48943

24791380

24791380: 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
24791380Mitochondrial Fusion · compound_name
MolClass ID
48943
InChIKey
IWDXXTGTBGEVLM-KPSZGOFPSA-N
Canonical SMILES
Cc2ncc(CO)c(C=NNC(Nc1ccc(c(c1)Cl)Cl)=S)c2(O)
Standard InChI
InChI=1S/C15H14Cl2N4O2S/c1-8-14(23)11(9(7-22)5-18-8)6-19-21-15(24)20-10-2-3-12(16)13(17)4-10/h2-6,22-23H,7H2,1H3,(H2,20,21,24)/b19-6+
Stored Murcko scaffold
n1ccc(C=NN[CH]Nc2ccccc2)cc1

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
4
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
121.86 Ų
CDK 2.12 · 2026-08-19
Molecular weight
385.27 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.454
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 · 24791380