Molecule card · MolClass #41594

7967384

7967384: 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: 7967384Mitochondrial Fusion · compound_name
MolClass ID: 41594
InChIKey: LRIBFQFIXZDEIU-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c3ccccc3(NC(=O)Cn1cc2CC(C)CCc2(n1))
Standard InChI: InChI=1S/C18H21N3O3/c1-12-7-8-15-13(9-12)10-21(20-15)11-17(22)19-16-6-4-3-5-14(16)18(23)24-2/h3-6,10,12H,7-9,11H2,1-2H3,(H,19,22)
Stored Murcko scaffold: n1c2c(cn1C[CH]Nc3ccccc3)CCCC2

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.

5309243#9921
7967088#37824
7968688#41096
7968852#41700
7964865#42501
7965503#42575
7969262#44663
7967249#45192
7965594#45315
7968315#45781

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 73.22 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 327.378 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.143; 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 · 7967384