Structure of molecule 37190

Molecule card · MolClass #37190

24799774

24799774: 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
24799774Mitochondrial Fusion · compound_name
MolClass ID
37190
InChIKey
BGDHEWKZFIHUPC-PTLVVNQVSA-N
Canonical SMILES
COCc1cc(ccc1(OC))C3CC5CN(c2ccccc2)C(=O)C45(CCCN34)
Standard InChI
InChI=1S/C24H28N2O3/c1-28-16-18-13-17(9-10-22(18)29-2)21-14-19-15-25(20-7-4-3-5-8-20)23(27)24(19)11-6-12-26(21)24/h3-5,7-10,13,19,21H,6,11-12,14-16H2,1-2H3/t19-,21-,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
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
42.01 Ų
CDK 2.12 · 2026-08-19
Molecular weight
392.492 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.845
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 · 24799774