Branaplam Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

393.49

ALogP

3.93

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
  • InChIKey: STWTUEAWRAIWJG-UHFFFAOYSA-N
    InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4290141   ChEMBL
branaplam

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