Molecule card · MolClass #40155

14741623

14741623: 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: 14741623Mitochondrial Fusion · compound_name
MolClass ID: 40155
InChIKey: UELWLLSJFNZKKZ-UHFFFAOYSA-N
Canonical SMILES: Cc1nc(O)c(C#N)c2CCCCc12
Standard InChI: InChI=1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)
Stored Murcko scaffold: n1ccc2c(c1)CCCC2

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.

1921225#16764
17512029#32775
14740992#43501
857461#46372

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 56.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 188.226 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.381; 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 · 14741623