Molecule card · MolClass #49604

24792339

24792339: 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: 24792339Mitochondrial Fusion · compound_name
MolClass ID: 49604
InChIKey: FLHDNJGEUVKNGX-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1(C))S(=O)(=O)N2CCN(CC2)c4ccnc3cc(ccc34)Cl
Standard InChI: InChI=1S/C21H22ClN3O2S/c1-15-3-5-18(13-16(15)2)28(26,27)25-11-9-24(10-12-25)21-7-8-23-20-14-17(22)4-6-19(20)21/h3-8,13-14H,9-12H2,1-2H3
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
24794547#49580

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: 415.938 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.64; 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 · 24792339