Molecule card · MolClass #48385

7974649

7974649: 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: 7974649Mitochondrial Fusion · compound_name
MolClass ID: 48385
InChIKey: SCLSXOVIJPQDGN-UHFFFAOYSA-N
Canonical SMILES: CC(=O)Nc1cc(ccc1Cl)N2C(=O)CCC2(=O)
Standard InChI: InChI=1S/C12H11ClN2O3/c1-7(16)14-10-6-8(2-3-9(10)13)15-11(17)4-5-12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16)
Stored Murcko scaffold: c1ccc(cc1)N2[CH]CC[CH]2

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.

27746-63-0#2676
6943-00-6#3057
24096-53-5#4678
15386-58-0#4999
112368-27-1#6891
17412038#37091
866015#44272
842445#44291
4255022#45812

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 266.681 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.614; 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 · 7974649