Molecule card · MolClass #38262

24820144

24820144: 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: 24820144Mitochondrial Fusion · compound_name
MolClass ID: 38262
InChIKey: YAZOUQVIOSTOMH-UHFFFAOYSA-N
Canonical SMILES: Cc3nc(nc2c3(CCN2(c1ccc(O)cc1)))SC
Standard InChI: InChI=1S/C14H15N3OS/c1-9-12-7-8-17(10-3-5-11(18)6-4-10)13(12)16-14(15-9)19-2/h3-6,18H,7-8H2,1-2H3
Stored Murcko scaffold: n1cnc2c(c1)CCN2c3ccccc3

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.

24819675#31455
17402688#38299
17411608#40176
17409513#41291

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 273.355 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.938; 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 · 24820144