Molecule card · MolClass #37530

24787604

24787604: 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: 24787604Mitochondrial Fusion · compound_name
MolClass ID: 37530
InChIKey: HZMFYJNISHUYQN-UHFFFAOYSA-N
Canonical SMILES: CN(C1CC(C)(C)N(O)C(C)(C)C1)S(=O)(=O)CC23(CCC(CC2(=O))C3(C)(C))
Standard InChI: InChI=1S/C20H36N2O4S/c1-17(2)11-15(12-18(3,4)22(17)24)21(7)27(25,26)13-20-9-8-14(10-16(20)23)19(20,5)6/h14-15,24H,8-13H2,1-7H3
Stored Murcko scaffold: S(NC1CCNCC1)CC23[CH]CC(CC2)C3

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 86.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 400.578 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.348; 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 · 24787604