Molecule card · MolClass #40340

24841499

24841499: 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: 24841499Mitochondrial Fusion · compound_name
MolClass ID: 40340
InChIKey: RVKCZUJHTHIVSV-VGSWGCGISA-N
Canonical SMILES: C#CCNC(=O)C1=CC(CC(OCCCCO)O1)c2cn(C(C)=O)c3ccccc23
Standard InChI: InChI=1S/C23H26N2O5/c1-3-10-24-23(28)21-13-17(14-22(30-21)29-12-7-6-11-26)19-15-25(16(2)27)20-9-5-4-8-18(19)20/h1,4-5,8-9,13,15,17,22,26H,6-7,10-12,14H2,2H3,(H,24,28)/t17-,22+/m1/s1
Stored Murcko scaffold: [N]1C=C(c2ccccc12)C3C=COCC3

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 89.79 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 410.464 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.761; 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 · 24841499