Structure of molecule 36574

Molecule card · MolClass #36574

24799403

24799403: 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
24799403Mitochondrial Fusion · compound_name
MolClass ID
36574
InChIKey
RFGPDLUKSKOFES-XJABCFGWSA-N
Canonical SMILES
Cc1cccc(n1)C3CC5CN(Cc2cccc(c2)Cl)C(=O)C45(CCCN34)
Standard InChI
InChI=1S/C22H24ClN3O/c1-15-5-2-8-19(24-15)20-12-17-14-25(13-16-6-3-7-18(23)11-16)21(27)22(17)9-4-10-26(20)22/h2-3,5-8,11,17,20H,4,9-10,12-14H2,1H3/t17-,20-,22-/m0/s1
Stored Murcko scaffold
n1ccccc1C2N3CCCC43[CH]N(Cc5ccccc5)CC4C2

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
36.44 Ų
CDK 2.12 · 2026-08-19
Molecular weight
381.899 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.14
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 · 24799403