Molecule card · MolClass #47707

14721759

14721759: 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: 14721759Mitochondrial Fusion · compound_name
MolClass ID: 47707
InChIKey: MVYXOCUPLWEESU-UHFFFAOYSA-N
Canonical SMILES: Cc1ccccc1N(CC(=O)NC2CCCC2)C(=O)C4(C)(CC(=O)N=C3C=CC=CN34)
Standard InChI: InChI=1S/C24H28N4O3/c1-17-9-3-6-12-19(17)27(16-22(30)25-18-10-4-5-11-18)23(31)24(2)15-21(29)26-20-13-7-8-14-28(20)24/h3,6-9,12-14,18H,4-5,10-11,15-16H2,1-2H3,(H,25,30)
Stored Murcko scaffold: N=1[CH]CC([CH]N(c2ccccc2)C[CH]NC3CCCC3)N4C=CC=CC14

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.

24779103#32848
14721700#40580
24808018#43241

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; 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: 82.08 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 420.505 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.52; 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 · 14721759