Molecule card · MolClass #51248

17387682

17387682: 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: 17387682Mitochondrial Fusion · compound_name
MolClass ID: 51248
InChIKey: SNYVAIVACJFSEV-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1(C))c3cc(C(=O)N2N=C(CC2(O)(C(F)F))C(F)F)c4ccccc4(n3)
Standard InChI: InChI=1S/C23H19F4N3O2/c1-12-7-8-14(9-13(12)2)18-10-16(15-5-3-4-6-17(15)28-18)21(31)30-23(32,22(26)27)11-19(29-30)20(24)25/h3-10,20,22,32H,11H2,1-2H3
Stored Murcko scaffold: N1=CCCN1[CH]c2cc(nc3ccccc32)-c4ccccc4

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.

17387681#51244
17386453#51246

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 65.79 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 445.41 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.155; 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 · 17387682