nemtabrutinib Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

478.94

ALogP

4.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12
  • InChIKey: JSFCZQSJQXFJDS-QAPCUYQASA-N
    InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4756476   ChEMBL
nemtabrutinib

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