Structure of molecule 38670

Molecule card · MolClass #38670

4243468

4243468: 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
4243468Mitochondrial Fusion · compound_name
MolClass ID
38670
InChIKey
XQFMNPBROWVLKC-UHFFFAOYSA-N
Canonical SMILES
CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCC(C)CC2
Standard InChI
InChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-4-5-13(11-17)15(18)16-14-8-6-12(2)7-9-14/h12-14H,3-11H2,1-2H3,(H,16,18)
Stored Murcko scaffold
[CH](NC1CCCCC1)C2CNCCC2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
74.86 Ų
CDK 2.12 · 2026-08-19
Molecular weight
316.461 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.057
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 · 4243468