Molecule card · MolClass #49580

24794547

24794547: 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: 24794547Mitochondrial Fusion · compound_name
MolClass ID: 49580
InChIKey: ZTRKDZCGXASXFH-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(c2ccccc2(n1))N3CCN(CC3)S(=O)(=O)c4ccc(c(c4)Cl)Cl
Standard InChI: InChI=1S/C20H19Cl2N3O2S/c1-14-12-20(16-4-2-3-5-19(16)23-14)24-8-10-25(11-9-24)28(26,27)15-6-7-17(21)18(22)13-15/h2-7,12-13H,8-11H2,1H3
Stored Murcko scaffold: n1ccc(c2ccccc12)N3CCN(Sc4ccccc4)CC3

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.

24795984#49519
24792339#49604

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 436.356 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.703; 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 · 24794547