Structure of molecule 36703

Molecule card · MolClass #36703

24798416

24798416: 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
24798416Mitochondrial Fusion · compound_name
MolClass ID
36703
InChIKey
SSYMFENHGNAGRW-MDKPJZGXSA-N
Canonical SMILES
Cc1ccc(o1)C3CC5CN(Cc2cccc(c2)Cl)C(=O)C45(CCCN34)
Standard InChI
InChI=1S/C21H23ClN2O2/c1-14-6-7-19(26-14)18-11-16-13-23(12-15-4-2-5-17(22)10-15)20(25)21(16)8-3-9-24(18)21/h2,4-7,10,16,18H,3,8-9,11-13H2,1H3/t16-,18-,21-/m0/s1
Stored Murcko scaffold
o1cccc1C2N3CCCC43[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
3
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
36.69 Ų
CDK 2.12 · 2026-08-19
Molecular weight
370.873 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.921
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 · 24798416