Structure of molecule 35805

Molecule card · MolClass #35805

24804532

24804532: 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
24804532Mitochondrial Fusion · compound_name
MolClass ID
35805
InChIKey
KQMIEXUFXYXHMY-MDZDMXLPSA-N
Canonical SMILES
O=[N+]([O-])C(=C2NCCN2(Cc1ccc(nc1)Cl))Cl
Standard InChI
InChI=1S/C10H10Cl2N4O2/c11-8-2-1-7(5-14-8)6-15-4-3-13-10(15)9(12)16(17)18/h1-2,5,13H,3-4,6H2/b10-9+
Stored Murcko scaffold
n1cccc(c1)CN2[CH]NCC2

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
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
71.3 Ų
CDK 2.12 · 2026-08-19
Molecular weight
289.118 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.789
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 · 24804532