Aganepag Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

429.58

ALogP

5.58

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1
  • InChIKey: WXWCSPFQIXPFLD-RXVVDRJESA-N
    InChI=1S/C24H31NO4S/c1-2-3-4-8-21(26)17-9-11-19(12-10-17)25-18(13-16-23(25)27)6-5-7-20-14-15-22(30-20)24(28)29/h9-12,14-15,18,21,26H,2-8,13,16H2,1H3,(H,28,29)/t18-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103861   ChEMBL
aganepag

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