4sc-203 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

642.79

ALogP

5.97

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)cc2s1
  • InChIKey: MAFACRSJGNJHCF-UHFFFAOYSA-N
    InChI=1S/C33H38N8O4S/c1-21-6-9-27(43-3)26(16-21)37-32(42)39-33-38-24-8-7-22(17-30(24)46-33)36-31-23-18-28(44-4)29(19-25(23)34-20-35-31)45-15-5-10-41-13-11-40(2)12-14-41/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,39,42)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545358   ChEMBL
4sc-203

CHEMBL5314406   ChEMBL
4sc-203

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