Molecule card · MolClass #40261

24819458

24819458: 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: 24819458Mitochondrial Fusion · compound_name
MolClass ID: 40261
InChIKey: MFSVYDYRFRBRLC-LZYBPNLTSA-N
Canonical SMILES: CCOC(=O)c2c(N=CN(C)C)c1c(ccnc1s2)OC
Standard InChI: InChI=1S/C14H17N3O3S/c1-5-20-14(18)12-11(16-8-17(2)3)10-9(19-4)6-7-15-13(10)21-12/h6-8H,5H2,1-4H3/b16-8+
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
24821499#39507
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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.26 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 307.37 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.793; 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 · 24819458