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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

574.5

ALogP

4.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1
  • InChIKey: SRJNRAQUSAVENA-GSHUGGBRSA-N
    InChI=1S/C26H25F7N4O3/c1-13-4-2-7-18-19(13)36-24(40)22(35-20(18)14-5-3-6-15(27)12-14)37-23(39)17(9-11-26(31,32)33)16(21(34)38)8-10-25(28,29)30/h2-7,12,16-17,22H,8-11H2,1H3,(H2,34,38)(H,36,40)(H,37,39)/t16-,17+,22+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3911164   ChEMBL
bms-986115

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