Molecule card · MolClass #40051

17409060

17409060: 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: 17409060Mitochondrial Fusion · compound_name
MolClass ID: 40051
InChIKey: ZGTXXTZWJCUZSG-UHFFFAOYSA-N
Canonical SMILES: CCCC(CCC)C(=O)NNc1cc(O)c2C(=O)N(C)C(=O)N(C)c2(n1)
Standard InChI: InChI=1S/C17H25N5O4/c1-5-7-10(8-6-2)15(24)20-19-12-9-11(23)13-14(18-12)21(3)17(26)22(4)16(13)25/h9-10H,5-8H2,1-4H3,(H,20,24)(H2,18,19,23)
Stored Murcko scaffold: n1cnc2ncccc2c1

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.

7975699#26396
4242886#28840
24823052#31446
26658062#32730
22414525#34813
22412024#38311
24797548#39446

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 9; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 114.87 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 363.412 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.015; 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 · 17409060