Structure of molecule 37899

Molecule card · MolClass #37899

24819122

24819122: 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
24819122Mitochondrial Fusion · compound_name
MolClass ID
37899
InChIKey
BRNDFZWNWNSMHC-WDIPEOLASA-N
Canonical SMILES
CC(=O)N1C(CC2(C)(CC(=O)NC12))c3ccccc3(O)
Standard InChI
InChI=1S/C15H18N2O3/c1-9(18)17-11(10-5-3-4-6-12(10)19)7-15(2)8-13(20)16-14(15)17/h3-6,11,14,19H,7-8H2,1-2H3,(H,16,20)/t11?,14?,15-/m1/s1
Stored Murcko scaffold
[N]1C(c2ccccc2)CC3C[CH]NC13

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
69.64 Ų
CDK 2.12 · 2026-08-19
Molecular weight
274.316 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.757
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 · 24819122