Eganelisib Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

528.58

ALogP

3.24

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
  • InChIKey: XUMALORDVCFWKV-IBGZPJMESA-N
    InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3984425   ChEMBL
eganelisib

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