Molecule card · MolClass #38270

7967053

7967053: 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: 7967053Mitochondrial Fusion · compound_name
MolClass ID: 38270
InChIKey: GSYROOOESFMPAZ-UHFFFAOYSA-N
Canonical SMILES: CCC(C)C(=O)Nc2nc1CC(C)(C)CC(=O)c1s2
Standard InChI: InChI=1S/C14H20N2O2S/c1-5-8(2)12(18)16-13-15-9-6-14(3,4)7-10(17)11(9)19-13/h8H,5-7H2,1-4H3,(H,15,16,18)
Stored Murcko scaffold: n1csc2[CH]CCCc12

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.

1357104#16305
4255938#29254
4256330#35938
7967139#46027

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: 87.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 280.387 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.914; 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 · 7967053