Structure of molecule 38483

Molecule card · MolClass #38483

7976007

7976007: 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
7976007Mitochondrial Fusion · compound_name
MolClass ID
38483
InChIKey
QNFGFJQLGPBPJR-UHFFFAOYSA-N
Canonical SMILES
CCc1ccc(cc1)N2C(=O)C4=C(C2(=O))SC3=NN=C(C)C(=O)N34
Standard InChI
InChI=1S/C16H12N4O3S/c1-3-9-4-6-10(7-5-9)19-14(22)11-12(15(19)23)24-16-18-17-8(2)13(21)20(11)16/h4-7H,3H2,1-2H3
Stored Murcko scaffold
N=1N=C2Sc3cn(cc3N2[CH]C1)-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
7
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
107.71 Ų
CDK 2.12 · 2026-08-19
Molecular weight
340.358 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.38
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 · 7976007