Molecule card · MolClass #1741

Prenylamine lactate

Prenylamine lactate: 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: Prenylamine lactateFlucanozole Synergizer · compound_name
MolClass ID: 1741
InChIKey: IFFPICMESYHZPQ-UHFFFAOYSA-N
Canonical SMILES: CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3
Standard InChI: InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
Stored Murcko scaffold: c1ccc(cc1)CCNCCC(c2ccccc2)c3ccccc3

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.

CC(O)C(C)=O.CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1#155423

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 12.03 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 329.479 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.868; 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.

Flucanozole Synergizer
Dataset #3 · Prenylamine lactate