ssr-125543 Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

483.05

ALogP

7.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1
  • InChIKey: IEAKXXNRGSLYTQ-DEOSSOPVSA-N
    InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL291657   ChEMBL
ssr125543

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