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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

543.54

ALogP

0.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)OC(=O)[C@H](C)NP(=S)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1
  • InChIKey: XFJMOMBVBMXWCV-ZSNLZBCWSA-N
    InChI=1S/C22H30N3O9PS/c1-13(2)32-19(28)14(3)24-35(36,34-15-8-6-5-7-9-15)31-12-16-18(27)22(4,30)20(33-16)25-11-10-17(26)23-21(25)29/h5-11,13-14,16,18,20,27,30H,12H2,1-4H3,(H,24,36)(H,23,26,29)/t14-,16+,18+,20+,22+,35?/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4783446   ChEMBL
vx-135

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