Structure of molecule 43347

Molecule card · MolClass #43347

14743522

14743522: 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
14743522Mitochondrial Fusion · compound_name
MolClass ID
43347
InChIKey
JIGQQFHWZNUXHB-UHFFFAOYSA-N
Canonical SMILES
Cc1ccccc1C(=O)Nc3nc4NC(=O)CC(c2ccccc2)n4(n3)
Standard InChI
InChI=1S/C19H17N5O2/c1-12-7-5-6-10-14(12)17(26)21-18-22-19-20-16(25)11-15(24(19)23-18)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H2,20,21,22,23,25,26)
Stored Murcko scaffold
n1c(nn2c1N[CH]CC2c3ccccc3)N[CH]c4ccccc4

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
88.91 Ų
CDK 2.12 · 2026-08-19
Molecular weight
347.371 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.874
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 · 14743522