Molecule card · MolClass #36846

17410188

17410188: 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: 17410188Mitochondrial Fusion · compound_name
MolClass ID: 36846
InChIKey: FLNVTPWQXXHJIQ-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(C)n2nc(cc2(n1))c3c(ccs3)n4cccc4
Standard InChI: InChI=1S/C16H14N4S/c1-11-9-12(2)20-15(17-11)10-13(18-20)16-14(5-8-21-16)19-6-3-4-7-19/h3-10H,1-2H3
Stored Murcko scaffold: n1cccn2nc(cc12)-c3sccc3-n4cccc4

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.

1128388#14957
17410009#25821
17403011#36582
17410026#39382
24821268#40392

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 63.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 294.376 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.081; 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 · 17410188