plx-5622 Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

395.41

ALogP

4.15

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
  • InChIKey: NSMOZFXKTHCPTQ-UHFFFAOYSA-N
    InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545079   ChEMBL
plx-5622

CHEMBL3639728   ChEMBL
plx-5622

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