osanetant Report issue

Small molecule Experimental
DrugBank

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Chemistry

Mol. Mass

606.64

ALogP

7.42

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1
  • InChIKey: DZOJBGLFWINFBF-UMSFTDKQSA-N
    InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL346178   ChEMBL
osanetant

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