Structure of molecule 38683

Molecule card · MolClass #38683

14719170

14719170: 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
14719170Mitochondrial Fusion · compound_name
MolClass ID
38683
InChIKey
TYRBZUUHADCCGQ-BZSNNMDCSA-N
Canonical SMILES
CC(=O)OC2(CCN(C)C1CCCCC12)(c3ccccc3)
Standard InChI
InChI=1S/C18H25NO2/c1-14(20)21-18(15-8-4-3-5-9-15)12-13-19(2)17-11-7-6-10-16(17)18/h3-5,8-9,16-17H,6-7,10-13H2,1-2H3/t16-,17-,18-/m0/s1
Stored Murcko scaffold
c1ccc(cc1)C2CCNC3CCCCC32

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
3
CDK 2.12 · 2026-08-19
Topological polar surface area
29.54 Ų
CDK 2.12 · 2026-08-19
Molecular weight
287.397 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.444
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 · 14719170