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Small molecule Experimental

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Chemistry

Mol. Mass

514.04

ALogP

6.2

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O
  • InChIKey: UNFHDRVFEQPUEL-DENIHFKCSA-N
    InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1672973   ChEMBL
encaleret

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