Structure of molecule 38358

Molecule card · MolClass #38358

24800155

24800155: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
24800155Mitochondrial Fusion · compound_name
MolClass ID
38358
InChIKey
JIDYSWYMEOFJJK-UHFFFAOYSA-N
Canonical SMILES
CC(C)CCN3CCN(Cc1ccc(o1)Sc2nncn2(C))CC3(CCO)
Standard InChI
InChI=1S/C19H31N5O2S/c1-15(2)6-8-24-10-9-23(12-16(24)7-11-25)13-17-4-5-18(26-17)27-19-21-20-14-22(19)3/h4-5,14-16,25H,6-13H2,1-3H3
Stored Murcko scaffold
n1nc(Sc2oc(cc2)CN3CCNCC3)[nH]c1

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
9
CDK 2.12 · 2026-08-19
Topological polar surface area
95.86 Ų
CDK 2.12 · 2026-08-19
Molecular weight
393.549 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.203
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 · 24800155