Structure of molecule 51250

Molecule card · MolClass #51250

17386848

17386848: 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
17386848Mitochondrial Fusion · compound_name
MolClass ID
51250
InChIKey
NSMKWGGRWAFJDI-UHFFFAOYSA-N
Canonical SMILES
CCCNC(=O)c3ccc4NC(c1ccccc1)C5C2CCC(C2)C5(c4(c3))
Standard InChI
InChI=1S/C24H28N2O/c1-2-12-25-24(27)18-10-11-20-19(14-18)21-16-8-9-17(13-16)22(21)23(26-20)15-6-4-3-5-7-15/h3-7,10-11,14,16-17,21-23,26H,2,8-9,12-13H2,1H3,(H,25,27)
Stored Murcko scaffold
c1ccc(cc1)C2Nc3ccccc3C4C5CCC(C5)C24

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
41.13 Ų
CDK 2.12 · 2026-08-19
Molecular weight
360.493 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.577
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 · 17386848