nedisertib Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

481.92

ALogP

3.81

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
  • InChIKey: MOWXJLUYGFNTAL-DEOSSOPVSA-N
    InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297629   ChEMBL
nedisertib

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