Molecule card · MolClass #44028

14726713

14726713: 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: 14726713Mitochondrial Fusion · compound_name
MolClass ID: 44028
InChIKey: FDTNEQNESGVVHH-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)N2C(=O)c3cccnc3(C2(=O))
Standard InChI: InChI=1S/C14H10N2O2/c1-9-4-2-5-10(8-9)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8H,1H3
Stored Murcko scaffold: n1cccc2cn(cc12)-c3ccccc3

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.

709881#10750
659788#10936
24820874#44121

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.27 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 238.242 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.974; 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 · 14726713