Structure of molecule 35677

Molecule card · MolClass #35677

24805404

24805404: 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
24805404Mitochondrial Fusion · compound_name
MolClass ID
35677
InChIKey
WQMGIEOKPKMWEY-UHFFFAOYSA-N
Canonical SMILES
CC35(C=CC(=O)C=C5(CCC2C4CCC(O)(C(=O)CO)C4(C)(CC1OC123)))
Standard InChI
InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3
Stored Murcko scaffold
O1C2CC3CCCC3C4CCC5=C[CH]C=CC5C124

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
87.13 Ų
CDK 2.12 · 2026-08-19
Molecular weight
358.429 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.707
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 · 24805404