Structure of molecule 44148

Molecule card · MolClass #44148

14725081

14725081: 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
14725081Mitochondrial Fusion · compound_name
MolClass ID
44148
InChIKey
PKDZTOKRURWZRV-UHFFFAOYSA-N
Canonical SMILES
CC(C)c1ccc3c(c1)C(=O)CCCC2C(=O)N3(CCN2(C(C)=O))
Standard InChI
InChI=1S/C19H24N2O3/c1-12(2)14-7-8-16-15(11-14)18(23)6-4-5-17-19(24)21(16)10-9-20(17)13(3)22/h7-8,11-12,17H,4-6,9-10H2,1-3H3
Stored Murcko scaffold
[N]1CCN2[CH]C1CCC[CH]c3ccccc32

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
57.69 Ų
CDK 2.12 · 2026-08-19
Molecular weight
328.406 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.243
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 · 14725081