Structure of molecule 39244

Molecule card · MolClass #39244

24799543

24799543: 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
24799543Mitochondrial Fusion · compound_name
MolClass ID
39244
InChIKey
SXTUAVZTFSESJC-UHFFFAOYSA-N
Canonical SMILES
CC(C)(C)CN3CCNC(=O)C3(CC(=O)NC1Cc2ccccc2(C1))
Standard InChI
InChI=1S/C20H29N3O2/c1-20(2,3)13-23-9-8-21-19(25)17(23)12-18(24)22-16-10-14-6-4-5-7-15(14)11-16/h4-7,16-17H,8-13H2,1-3H3,(H,21,25)(H,22,24)
Stored Murcko scaffold
c1ccc2c(c1)CC(N[CH]CC3[CH]NCCN3)C2

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
61.44 Ų
CDK 2.12 · 2026-08-19
Molecular weight
343.464 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.682
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 · 24799543