bemcentinib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

506.66

ALogP

4.88

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2
  • InChIKey: KXMZDGSRSGHMMK-VWLOTQADSA-N
    InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3809489   ChEMBL
bemcentinib

Bemcentinib   Wikipedia

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