las-190792 Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

811.38

ALogP

6.11

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
  • InChIKey: SNXJYSXRLKUBSZ-WBXFWKJNSA-N
    InChI=1S/C39H43ClN4O9S2/c1-44(24-7-9-25(10-8-24)53-37(48)39(50,33-5-3-17-54-33)34-6-4-18-55-34)15-16-52-38(49)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)36-27(26)12-14-35(47)43-36/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,49)(H,43,47)/t24-,25-,31-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545272   ChEMBL
las190792

CHEMBL3916700   ChEMBL
las190792

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