Structure of molecule 38028

Molecule card · MolClass #38028

17513156

17513156: 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
17513156Mitochondrial Fusion · compound_name
MolClass ID
38028
InChIKey
RPCLVUBVBHGMCS-UHFFFAOYSA-N
Canonical SMILES
O=C4c5ccccc5(C(=O)N4(CCC[n+]3cc(c1ccccc1)n2CCCc23))
Standard InChI
InChI=1S/C23H22N3O2/c27-22-18-10-4-5-11-19(18)23(28)26(22)15-7-13-24-16-20(17-8-2-1-3-9-17)25-14-6-12-21(24)25/h1-5,8-11,16H,6-7,12-15H2/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
372.441 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.673
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 · 17513156