Molecule card · MolClass #37707

24819921

24819921: 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: 24819921Mitochondrial Fusion · compound_name
MolClass ID: 37707
InChIKey: DBVYTMRKCXGYSL-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c3c1CS(=O)Cn1c(c2cccc(c2)Cl)c3(C(=O)OC)
Standard InChI: InChI=1S/C16H14ClNO5S/c1-22-15(19)12-11-7-24(21)8-18(11)14(13(12)16(20)23-2)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3
Stored Murcko scaffold: S1Cc2ccc(-c3ccccc3)n2C1

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.

14730613#29204
49666118#29548
49666626#30432
14730609#38123
14729229#38128
24820121#39425

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 93.81 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 367.806 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.488; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24819921