Structure of molecule 37233

Molecule card · MolClass #37233

4262485

4262485: 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
4262485Mitochondrial Fusion · compound_name
MolClass ID
37233
InChIKey
MTPZXTRTBTYMHA-UHFFFAOYSA-N
Canonical SMILES
CC1CCCC(C1(=O))C3(O)(C(=O)Nc2ccccc23)
Standard InChI
InChI=1S/C15H17NO3/c1-9-5-4-7-11(13(9)17)15(19)10-6-2-3-8-12(10)16-14(15)18/h2-3,6,8-9,11,19H,4-5,7H2,1H3,(H,16,18)
Stored Murcko scaffold
c1ccc2c(c1)N[CH]C2C3[CH]CCCC3

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
66.4 Ų
CDK 2.12 · 2026-08-19
Molecular weight
259.301 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.614
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 · 4262485