Molecule card · MolClass #36929

7973953

7973953: 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: 7973953Mitochondrial Fusion · compound_name
MolClass ID: 36929
InChIKey: RKCRDSSCYRAMCG-UHFFFAOYSA-N
Canonical SMILES: C=CCn4c1ccc(C)cc1c3=Nn2c(nnc2SCC=C)N=c34
Standard InChI: InChI=1S/C17H16N6S/c1-4-8-22-13-7-6-11(3)10-12(13)14-15(22)18-16-19-20-17(23(16)21-14)24-9-5-2/h4-7,10H,1-2,8-9H2,3H3
Stored Murcko scaffold: n1nc2N=c3[nH]c4ccccc4c3=Nn2c1

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.

7978276#25501
7967062#36399

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 85.66 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 336.416 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.463; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 7973953