Structure of molecule 37145

Molecule card · MolClass #37145

24822974

24822974: 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
24822974Mitochondrial Fusion · compound_name
MolClass ID
37145
InChIKey
DHJLYIDBARDTEW-UHFFFAOYSA-N
Canonical SMILES
NNC(=O)c3nnn(c3(CN1CCc2ccccc2(C1)))c4nonc4(N)
Standard InChI
InChI=1S/C15H17N9O2/c16-13-14(21-26-20-13)24-11(12(19-22-24)15(25)18-17)8-23-6-5-9-3-1-2-4-10(9)7-23/h1-4H,5-8,17H2,(H2,16,20)(H,18,25)
Stored Murcko scaffold
n1nn(-c2nonc2)c(c1)CN3Cc4ccccc4CC3

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
7
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
154.01 Ų
CDK 2.12 · 2026-08-19
Molecular weight
355.355 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.078
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 · 24822974