Structure of molecule 49751

Molecule card · MolClass #49751

24783732

24783732: 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
24783732Mitochondrial Fusion · compound_name
MolClass ID
49751
InChIKey
YAQYUYOUMZCIBX-UHFFFAOYSA-N
Canonical SMILES
N=C(Cc1ccc(cc1Cl)Cl)NOC(=O)c2ccccc2(F)
Standard InChI
InChI=1S/C15H11Cl2FN2O2/c16-10-6-5-9(12(17)8-10)7-14(19)20-22-15(21)11-3-1-2-4-13(11)18/h1-6,8H,7H2,(H2,19,20)
Stored Murcko scaffold
O([CH]c1ccccc1)N[CH]Cc2ccccc2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
62.18 Ų
CDK 2.12 · 2026-08-19
Molecular weight
341.165 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.162
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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 24783732