Structure of molecule 47474

Molecule card · MolClass #47474

14743872

14743872: 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
14743872Mitochondrial Fusion · compound_name
MolClass ID
47474
InChIKey
KVIWVTPHLAEZCT-CUDQDEBJSA-N
Canonical SMILES
CC(C)c1ccc(cc1)C=C2CCC(=CC=NN(C)C)C2(=O)
Standard InChI
InChI=1S/C19H24N2O/c1-14(2)16-7-5-15(6-8-16)13-18-10-9-17(19(18)22)11-12-20-21(3)4/h5-8,11-14H,9-10H2,1-4H3/b17-11+,18-13+,20-12+
Stored Murcko scaffold
c1ccc(cc1)C=C2[CH][CH]CC2

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
0
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
32.67 Ų
CDK 2.12 · 2026-08-19
Molecular weight
296.407 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.555
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 · 14743872