Structure of molecule 51637

Molecule card · MolClass #51637

14733716

14733716: 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
14733716Mitochondrial Fusion · compound_name
MolClass ID
51637
InChIKey
VNDQUAZXFQWVNT-UHFFFAOYSA-N
Canonical SMILES
O=C(c1c(F)c(F)c(F)c(F)c1(F))N(Cc2ccccc2)Cc3ccccc3
Standard InChI
InChI=1S/C21H14F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Stored Murcko scaffold
c1ccc(cc1)[CH]N(Cc2ccccc2)Cc3ccccc3

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
0
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
20.31 Ų
CDK 2.12 · 2026-08-19
Molecular weight
391.335 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.794
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 · 14733716