brivanab Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

441.46

ALogP

3.42

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
  • InChIKey: LTEJRLHKIYCEOX-OCCSQVGLSA-N
    InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL270995   ChEMBL
brivanib alaninate

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