Molecule card · MolClass #41145

17510194

17510194: 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: 17510194Mitochondrial Fusion · compound_name
MolClass ID: 41145
InChIKey: CTHZKMOIZZRYOT-UHFFFAOYSA-N
Canonical SMILES: Cc1c3ccccc3(nc2c(F)c(c(F)c(F)c12)N(C)C)
Standard InChI: InChI=1S/C16H13F3N2/c1-8-9-6-4-5-7-10(9)20-15-11(8)12(17)13(18)16(14(15)19)21(2)3/h4-7H,1-3H3
Stored Murcko scaffold: n1c2ccccc2cc3ccccc13

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 16.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 290.284 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.609; 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 · 17510194