Structure of molecule 1120

Molecule card · MolClass #1120

LOPAC 00236

LOPAC 00236: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

5 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Telenzepine dihydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
Telenzepine dihydrochlorideFlucanozole Synergizer · compound_name
6419995P.falciparum Sensitivity · compound_name
11532931Mitochondrial Fusion · compound_name
MolClass ID
1120
InChIKey
VSWPGAIWKHPTKX-UHFFFAOYSA-N
Canonical SMILES
Cc1c4c(cs1)C(=O)Nc2ccccc2N4(C(=O)CN3CCN(C)CC3)
Standard InChI
InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
Stored Murcko scaffold
s1cc2[CH]Nc3ccccc3N([CH]CN4CCNCC4)c2c1

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
84.13 Ų
CDK 2.12 · 2026-08-19
Molecular weight
370.47 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.791
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 · 1162

  • Flucanozole Synergizer

    Dataset #3 · Telenzepine dihydrochloride

  • P.falciparum Sensitivity

    Dataset #8 · 6419995

  • Auto-fluorescence Prediction

    Dataset #13 · 907526

  • Mitochondrial Fusion

    Dataset #19 · 11532931