Molecule card · MolClass #41203

7966134

7966134: 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: 7966134Mitochondrial Fusion · compound_name
MolClass ID: 41203
InChIKey: DDQGTSSSQUPFGV-UHFFFAOYSA-N
Canonical SMILES: Cc2cc(c1ccco1)n(CC(=O)NCCN(C)C)n2
Standard InChI: InChI=1S/C14H20N4O2/c1-11-9-12(13-5-4-8-20-13)18(16-11)10-14(19)15-6-7-17(2)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,15,19)
Stored Murcko scaffold: n1ccc([nH]1)-c2occc2

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.

4252172#28559
24823743#29133
16952549#38554
24823743#43977

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 63.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 276.335 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.456; 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 · 7966134