lecozotan Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

483.57

ALogP

3.58

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1
  • InChIKey: NRPQELCNMADTOZ-OAQYLSRUSA-N
    InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL372205   ChEMBL
lecozotan *

CHEMBL2107349   ChEMBL
lecozotan hydrochloride

Lecozotan   Wikipedia

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