ds-1001b Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

608.93

ALogP

7.56

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)N.Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12
  • InChIKey: UPPAAWQBZQBNIE-USRGLUTNSA-N
    InChI=1S/C25H18Cl3FN2O4.C4H11N/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28;1-4(2,3)5/h4-11H,1-3H3,(H,32,33);5H2,1-3H3/b8-7+;
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650282   ChEMBL
ds-1001b

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