Structure of molecule 38237

Molecule card · MolClass #38237

17401670

17401670: 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
17401670Mitochondrial Fusion · compound_name
MolClass ID
38237
InChIKey
CSKRISWBYABHFL-UHFFFAOYSA-N
Canonical SMILES
Oc1ccc(cc1)C(C3=C(O)N=C2N(CCS2)C3(=O))C=5C(=O)N=C4N(CCS4)C=5(O)
Standard InChI
InChI=1S/C19H16N4O5S2/c24-10-3-1-9(2-4-10)11(12-14(25)20-18-22(16(12)27)5-7-29-18)13-15(26)21-19-23(17(13)28)6-8-30-19/h1-4,11,24-25,28H,5-8H2
Stored Murcko scaffold
N=1C=C([CH]N2C1SCC2)C(C=3[CH]N=C4SCCN4C3)c5ccccc5

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
9
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
176.63 Ų
CDK 2.12 · 2026-08-19
Molecular weight
444.487 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.832
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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 17401670