Structure of molecule 51937

Molecule card · MolClass #51937

14718724

14718724: 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
14718724Mitochondrial Fusion · compound_name
MolClass ID
51937
InChIKey
VVVFAJGBMPGWSB-ADCWSOHQSA-N
Canonical SMILES
O=C(NN=CC=Cc1ccccc1)C3CC3(c2ccccc2)
Standard InChI
InChI=1S/C19H18N2O/c22-19(18-14-17(18)16-11-5-2-6-12-16)21-20-13-7-10-15-8-3-1-4-9-15/h1-13,17-18H,14H2,(H,21,22)/b10-7+,20-13+
Stored Murcko scaffold
N(=CC=Cc1ccccc1)N[CH]C2CC2c3ccccc3

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
6
CDK 2.12 · 2026-08-19
Topological polar surface area
41.46 Ų
CDK 2.12 · 2026-08-19
Molecular weight
290.36 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.135
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 · 14718724