Structure of molecule 51655

Molecule card · MolClass #51655

14734031

14734031: 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
14734031Mitochondrial Fusion · compound_name
MolClass ID
51655
InChIKey
IGVJUGVCKXSRPU-KEBDBYFISA-N
Canonical SMILES
Cc4ccc(C=NN3C=Nc2c(cc(c1ccccc1)s2)C3(=O))o4
Standard InChI
InChI=1S/C18H13N3O2S/c1-12-7-8-14(23-12)10-20-21-11-19-17-15(18(21)22)9-16(24-17)13-5-3-2-4-6-13/h2-11H,1H3/b20-10+
Stored Murcko scaffold
N1=CN(N=Cc2occc2)[CH]c3cc(sc13)-c4ccccc4

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
86.41 Ų
CDK 2.12 · 2026-08-19
Molecular weight
335.381 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.319
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 · 14734031