Structure of molecule 37412

Molecule card · MolClass #37412

24786458

24786458: 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
24786458Mitochondrial Fusion · compound_name
MolClass ID
37412
InChIKey
TVGOMZAPJMONMH-LEDOBFOHSA-N
Canonical SMILES
COCc1ccc(o1)C3CC5CN(Cc2ccccc2(C))C(=O)C45(CCCN34)
Standard InChI
InChI=1S/C23H28N2O3/c1-16-6-3-4-7-17(16)13-24-14-18-12-20(21-9-8-19(28-21)15-27-2)25-11-5-10-23(18,25)22(24)26/h3-4,6-9,18,20H,5,10-15H2,1-2H3/t18-,20-,23-/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
4
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
45.92 Ų
CDK 2.12 · 2026-08-19
Molecular weight
380.481 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.218
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 · 24786458