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Small molecule Experimental

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Chemistry

Mol. Mass

491.51

ALogP

2.24

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1
  • InChIKey: SJHNWSAWWOAWJH-MRXNPFEDSA-N
    InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4783351   ChEMBL
emavusertib

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