Mizacorat Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

494.54

ALogP

4.64

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1
  • InChIKey: ZQFNDBISEYQVRR-LOSJGSFVSA-N
    InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4207852   ChEMBL
mizacorat

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