Structure of molecule 1437

Molecule card · MolClass #1437

Tiletamine hydrochloride

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

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Tiletamine hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID
1437
InChIKey
QAXBVGVYDCAVLV-UHFFFAOYSA-N
Canonical SMILES
CCNC1(CCCCC1(=O))c2cccs2
Standard InChI
InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
Stored Murcko scaffold
s1cccc1C2[CH]CCCC2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
57.34 Ų
CDK 2.12 · 2026-08-19
Molecular weight
223.336 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.745
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 · Tiletamine hydrochloride