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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

367.41

ALogP

3.14

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1
  • InChIKey: VLLFGVHGKLDDLW-SFHVURJKSA-N
    InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3916243   ChEMBL
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