ronacaleret Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

447.52

ALogP

3.9

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc3cc(CCC(=O)O)cc(F)c3F
  • InChIKey: FQJISUPNMFRIFZ-HXUWFJFHSA-N
    InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1198855   ChEMBL
ronacaleret

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