Structure of molecule 43344

Molecule card · MolClass #43344

16953184

16953184: 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
16953184Mitochondrial Fusion · compound_name
MolClass ID
43344
InChIKey
GCPQPOUIAUKDFC-UHFFFAOYSA-N
Canonical SMILES
CC2Cc1ccccc1N2C(=O)CN3CCC(CC3)n5nnc4cc(ccc45)C(F)(F)F
Standard InChI
InChI=1S/C23H24F3N5O/c1-15-12-16-4-2-3-5-20(16)30(15)22(32)14-29-10-8-18(9-11-29)31-21-7-6-17(23(24,25)26)13-19(21)27-28-31/h2-7,13,15,18H,8-12,14H2,1H3
Stored Murcko scaffold
n1nn(c2ccccc12)C3CCN(C[CH]N4c5ccccc5CC4)CC3

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
0
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
54.26 Ų
CDK 2.12 · 2026-08-19
Molecular weight
443.466 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.511
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 · 16953184