Molecule card · MolClass #39507

24821499

24821499: 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: 24821499Mitochondrial Fusion · compound_name
MolClass ID: 39507
InChIKey: RIMHJWNZVJUABC-GQJAYTKNSA-N
Canonical SMILES: COC(=O)C=Cc2c(N=CN(C)C)c1c(C)cc(C)nc1s2
Standard InChI: InChI=1S/C16H19N3O2S/c1-10-8-11(2)18-16-14(10)15(17-9-19(3)4)12(22-16)6-7-13(20)21-5/h6-9H,1-5H3/b7-6+,17-9+
Stored Murcko scaffold: n1cccc2ccsc12

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.

1162294#13072
1947817#15380
14730012#26616
26664866#27342
24819138#30662
26659751#33427
24819458#40261
4264151#42223
22413219#42304
24794526#44053
24819168#47980
14723970#51886
5277481#71368
AZM115#92139

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: 83.03 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 317.408 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.479; 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 · 24821499