Structure of molecule 43065

Molecule card · MolClass #43065

14718735

14718735: 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
14718735Mitochondrial Fusion · compound_name
MolClass ID
43065
InChIKey
FXWCHPIFGPJLMO-UHFFFAOYSA-N
Canonical SMILES
CCOC(=O)C(NC(=O)c1ccccc1)(OCC2(CC)(COC2))C(F)(F)F
Standard InChI
InChI=1S/C18H22F3NO5/c1-3-16(10-25-11-16)12-27-17(18(19,20)21,15(24)26-4-2)22-14(23)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,22,23)
Stored Murcko scaffold
O(CN[CH]c1ccccc1)CC2COC2

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
11
CDK 2.12 · 2026-08-19
Topological polar surface area
73.86 Ų
CDK 2.12 · 2026-08-19
Molecular weight
389.367 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.511
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 · 14718735