Structure of molecule 32720

Molecule card · MolClass #32720

14734831

14734831: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
14734831Antifungal Pump Inhibitors · compound_name
14734831Mitochondrial Fusion · compound_name
MolClass ID
32720
InChIKey
IESCCWOVPKJHAO-UHFFFAOYSA-N
Canonical SMILES
CCOC(=O)c1c(C)sc(c1(OC))Sc2ccc(cc2[N+](=O)[O-])Cl
Standard InChI
InChI=1S/C15H14ClNO5S2/c1-4-22-14(18)12-8(2)23-15(13(12)21-3)24-11-6-5-9(16)7-10(11)17(19)20/h5-7H,4H2,1-3H3
Stored Murcko scaffold
s1cccc1Sc2ccccc2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
7
CDK 2.12 · 2026-08-19
Topological polar surface area
132.21 Ų
CDK 2.12 · 2026-08-19
Molecular weight
387.861 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.161
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 14734831

  • Mitochondrial Fusion

    Dataset #19 · 14734831