Structure of molecule 38246

Molecule card · MolClass #38246

24783482

24783482: 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
24783482Mitochondrial Fusion · compound_name
MolClass ID
38246
InChIKey
KVAQMYGBORMBRI-KKXVJBJDSA-N
Canonical SMILES
CCOc4ccc(C=CC(O)=C3C(=O)NC1(C)(CC3(c2ccccc2(O1))))cc4(OC)
Standard InChI
InChI=1S/C24H25NO5/c1-4-29-20-12-10-15(13-21(20)28-3)9-11-18(26)22-17-14-24(2,25-23(22)27)30-19-8-6-5-7-16(17)19/h5-13,17,26H,4,14H2,1-3H3,(H,25,27)/b11-9+,22-18-
Stored Murcko scaffold
O1c2ccccc2C3C(=CC=Cc4ccccc4)[CH]NC1C3

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
77.02 Ų
CDK 2.12 · 2026-08-19
Molecular weight
407.46 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.678
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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 24783482