cln-081 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

396.45

ALogP

3.32

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CC(=O)N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
  • InChIKey: MKCYPWYURWOKST-INIZCTEOSA-N
    InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650281   ChEMBL
cln-081

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