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Small molecule Experimental
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Chemistry

Mol. Mass

554.86

ALogP

8.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(O)c1ccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1
  • InChIKey: XBUXXJUEBFDQHD-NHCUHLMSSA-N
    InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545113   ChEMBL
px-102

CHEMBL3822773   ChEMBL
px-102

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