Structure of molecule 37610

Molecule card · MolClass #37610

17511433

17511433: 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
17511433Mitochondrial Fusion · compound_name
MolClass ID
37610
InChIKey
OBHBFVSATIULAJ-UHFFFAOYSA-N
Canonical SMILES
FC(F)Sc1ccc(cc1)[n+]4cc(c2ccccc2)n3CCCc34
Standard InChI
InChI=1S/C19H17F2N2S/c20-19(21)24-16-10-8-15(9-11-16)23-13-17(14-5-2-1-3-6-14)22-12-4-7-18(22)23/h1-3,5-6,8-11,13,19H,4,7,12H2/q+1
Stored Murcko scaffold
c1ccc(cc1)-c2c[n+](-c3ccccc3)c4n2CCC4

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
0
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
34.11 Ų
CDK 2.12 · 2026-08-19
Molecular weight
343.415 g/mol
CDK 2.12 · 2026-08-19
XLogP
6.351
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 · 17511433