Molecule card · MolClass #44418

14744384

14744384: 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: 14744384Mitochondrial Fusion · compound_name
MolClass ID: 44418
InChIKey: SLWDJSYOUFABLF-UHFFFAOYSA-N
Canonical SMILES: CC1CCN(CC1)C(=O)CC4C(=O)NC3=C4(C(=O)N(C)C(=O)N3(Cc2ccccc2))
Standard InChI: InChI=1S/C22H26N4O4/c1-14-8-10-25(11-9-14)17(27)12-16-18-19(23-20(16)28)26(22(30)24(2)21(18)29)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,23,28)
Stored Murcko scaffold: [N]1[CH]C2=C(N[CH]C2C[CH]N3CCCCC3)N([CH]1)Cc4ccccc4

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; 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: 90.03 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 410.467 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.962; 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 · 14744384