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Small molecule Experimental
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Chemistry

Mol. Mass

548.94

ALogP

5.04

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](OP(=O)(O)O)C1CC1
  • InChIKey: YDTUJCNTIMWHPJ-NRFANRHFSA-N
    InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2147475   ChEMBL
bms-830216

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