Structure of molecule 43294

Molecule card · MolClass #43294

14743571

14743571: 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
14743571Mitochondrial Fusion · compound_name
MolClass ID
43294
InChIKey
IPGDDAVWONJEQB-UHFFFAOYSA-N
Canonical SMILES
CCN2C(=O)CC(NNC(=O)c1ccc(cc1)Cl)C2(=O)
Standard InChI
InChI=1S/C13H14ClN3O3/c1-2-17-11(18)7-10(13(17)20)15-16-12(19)8-3-5-9(14)6-4-8/h3-6,10,15H,2,7H2,1H3,(H,16,19)
Stored Murcko scaffold
[N]1[CH]CC([CH]1)NN[CH]c2ccccc2

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
78.51 Ų
CDK 2.12 · 2026-08-19
Molecular weight
295.722 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.613
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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 14743571