Structure of molecule 38244

Molecule card · MolClass #38244

24799779

24799779: 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
24799779Mitochondrial Fusion · compound_name
MolClass ID
38244
InChIKey
RTVCQUTZMWCGFS-UXSWERMXSA-N
Canonical SMILES
COc5ccc(C2CC4CN(c1ccccc1)C(=O)C34(CCCN23))c(OC)c5(OC)
Standard InChI
InChI=1S/C24H28N2O4/c1-28-20-11-10-18(21(29-2)22(20)30-3)19-14-16-15-25(17-8-5-4-6-9-17)23(27)24(16)12-7-13-26(19)24/h4-6,8-11,16,19H,7,12-15H2,1-3H3/t16-,19-,24-/m0/s1
Stored Murcko scaffold
c1ccc(cc1)N2[CH]C34N(CCC3)C(c5ccccc5)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
5
CDK 2.12 · 2026-08-19
Topological polar surface area
51.24 Ų
CDK 2.12 · 2026-08-19
Molecular weight
408.491 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.699
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 · 24799779