Structure of molecule 38562

Molecule card · MolClass #38562

17513050

17513050: 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
17513050Mitochondrial Fusion · compound_name
MolClass ID
38562
InChIKey
NJEXETIXZPXQDL-UHFFFAOYSA-N
Canonical SMILES
Cc1ccc(cc1)c4c[n+](CCCN2C(=O)c3ccccc3(C2(=O)))c5CCCn45
Standard InChI
InChI=1S/C24H24N3O2/c1-17-9-11-18(12-10-17)21-16-25(22-8-4-14-26(21)22)13-5-15-27-23(28)19-6-2-3-7-20(19)24(27)29/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3/q+1
Stored Murcko scaffold
c1ccc(cc1)-c2c[n+](c3n2CCC3)CCCn4cc5ccccc5c4

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
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
46.19 Ų
CDK 2.12 · 2026-08-19
Molecular weight
386.467 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.11
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 · 17513050