Structure of molecule 1662

Molecule card · MolClass #1662

Maprotiline hydrochloride

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

3 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Maprotiline hydrochlorideFlucanozole Synergizer · compound_name
855591Antifungal Pump Inhibitors · compound_name
855591Mitochondrial Fusion · compound_name
MolClass ID
1662
InChIKey
QSLMDECMDJKHMQ-GSXCWMCISA-N
Canonical SMILES
CNCCCC24(CCC(c1ccccc12)c3ccccc34)
Standard InChI
InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+
Stored Murcko scaffold
c1ccc2c(c1)C3c4ccccc4C2CC3

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
1
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
12.03 Ų
CDK 2.12 · 2026-08-19
Molecular weight
277.404 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.059
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.

  • Flucanozole Synergizer

    Dataset #3 · Maprotiline hydrochloride

  • Antifungal Pump Inhibitors

    Dataset #18 · 855591

  • Mitochondrial Fusion

    Dataset #19 · 855591