pf-06842874 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

385.46

ALogP

2.58

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
  • InChIKey: PITORJXKOJWMTN-SJLPKXTDSA-N
    InChI=1S/C21H27N3O4/c1-12-15-10-22-19(23-16-7-8-28-11-18(16)26)9-17(15)24(14-5-3-4-6-14)21(27)20(12)13(2)25/h9-10,14,16,18,26H,3-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095191   ChEMBL
pf-06842874

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