Structure of molecule 473

Molecule card · MolClass #473

LOPAC 00190

LOPAC 00190: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

5 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Flunarizine dihydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
Flunarizine dihydrochlorideFlucanozole Synergizer · compound_name
5282407P.falciparum Sensitivity · compound_name
855700Mitochondrial Fusion · compound_name
MolClass ID
473
InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
Canonical SMILES
Fc1ccc(cc1)C(c2ccc(F)cc2)N4CCN(CC=Cc3ccccc3)CC4
Standard InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
Stored Murcko scaffold
c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4

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
6
CDK 2.12 · 2026-08-19
Topological polar surface area
6.48 Ų
CDK 2.12 · 2026-08-19
Molecular weight
404.496 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.625
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.

  • Compound induced Neuronal Stem Cell Differentiation

    Dataset #1 · 489

  • Flucanozole Synergizer

    Dataset #3 · Flunarizine dihydrochloride

  • P.falciparum Sensitivity

    Dataset #8 · 5282407

  • BetaCell Transdifferentiation

    Dataset #11 · 43

  • Mitochondrial Fusion

    Dataset #19 · 855700