Molecule card · MolClass #40932

14741230

14741230: 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: 14741230Mitochondrial Fusion · compound_name
MolClass ID: 40932
InChIKey: FELVFPOIGITSMT-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C3(C)(C(N=Nc1ccccc1)=C(O)C(=O)N3(c2ccccc2))
Standard InChI: InChI=1S/C20H19N3O4/c1-3-27-19(26)20(2)17(22-21-14-10-6-4-7-11-14)16(24)18(25)23(20)15-12-8-5-9-13-15/h4-13,24H,3H2,1-2H3
Stored Murcko scaffold: N(=NC1=C[CH]N(c2ccccc2)C1)c3ccccc3

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.

14741158#30285
24801189#40977

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 91.56 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 365.383 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.451; 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 · 14741230