Structure of molecule 46309

Molecule card · MolClass #46309

14723555

14723555: 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
14723555Mitochondrial Fusion · compound_name
MolClass ID
46309
InChIKey
SCQVYKLRVXSLTR-NVNXTCNLSA-N
Canonical SMILES
CC(=NC1CC1)C=2C(=O)c3ccccc3(C=2(O))
Standard InChI
InChI=1S/C14H13NO2/c1-8(15-9-6-7-9)12-13(16)10-4-2-3-5-11(10)14(12)17/h2-5,9,16H,6-7H2,1H3/b15-8-
Stored Murcko scaffold
N(=CC=1[CH]c2ccccc2C1)C3CC3

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
2
CDK 2.12 · 2026-08-19
Topological polar surface area
49.66 Ų
CDK 2.12 · 2026-08-19
Molecular weight
227.259 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.357
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 · 14723555