Structure of molecule 42383

Molecule card · MolClass #42383

24820697

24820697: 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
24820697Mitochondrial Fusion · compound_name
MolClass ID
42383
InChIKey
MCMDYRMZRSWNBZ-RQZCQDPDSA-N
Canonical SMILES
CC(=NOC(=O)C1CC1)C3CC3(c2ccc(F)cc2)
Standard InChI
InChI=1S/C15H16FNO2/c1-9(17-19-15(18)11-2-3-11)13-8-14(13)10-4-6-12(16)7-5-10/h4-7,11,13-14H,2-3,8H2,1H3/b17-9+
Stored Murcko scaffold
N(O[CH]C1CC1)=CC2CC2c3ccccc3

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
1
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
38.66 Ų
CDK 2.12 · 2026-08-19
Molecular weight
261.292 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.846
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 · 24820697