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Small molecule Experimental

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Chemistry

Mol. Mass

431.386

ALogP

3.32

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H]1COC2(CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+]([O-])=O)O1
  • InChIKey: GTUIRORNXIOHQR-VIFPVBQESA-N
    1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1822872   ChEMBL
btz-043

G55ZH52P57   NCATS
btz-043 *

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