Molecule card · MolClass #193

LOPAC 01304

LOPAC 01304: 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: Amperozide hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
73334P.falciparum Sensitivity · compound_name
MolClass ID: 193
InChIKey: NNAIYOXJNVGUOM-UHFFFAOYSA-N
Canonical SMILES: CCNC(=O)N3CCN(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3
Standard InChI: InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
Stored Murcko scaffold: [N]1CCN(CC1)CCCC(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.

Cl.CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1#154109

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.58 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 401.494 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.165; 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.

Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 201
P.falciparum Sensitivity
Dataset #8 · 73334