Bexotegrast Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

492.62

ALogP

3.61

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COCCN(CCCCC1=CC=C2CCCN=C2N1)CC[C@H](Nc1ncnc2ccccc12)C(=O)O
  • InChIKey: CWOFQJBATWQSHL-DEOSSOPVSA-N
    InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095257   ChEMBL
bexotegrast

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