somapacitan (Sogroya) Report issue

Small molecule Orphan Drug FDA Approved FDA
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

1308.59

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: N[C@@H](CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=C)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)O)C(=O)O)C(=O)N)C(=O)O
  • InChIKey: NAKSIOUBFDBTSW-ITMZJIMRSA-N
    InChI=1S/C55H97N13O19S2/c1-40(18-13-11-9-7-5-3-2-4-6-8-10-12-14-20-45-64-67-68-65-45)66-89(82,83)35-17-21-46(69)59-27-29-84-32-34-87-37-50(73)63-44(55(80)81)23-25-48(71)62-43(54(78)79)22-24-47(70)60-28-30-85-31-33-86-36-49(72)61-42(52(57)75)19-15-16-26-58-51(74)39-88-38-41(56)53(76)77/h41-44,66H,1-39,56H2,(H2,57,75)(H,58,74)(H,59,69)(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,76,77)(H,78,79)(H,80,81)(H,64,65,67,68)/t41-,42-,43-,44-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707290   ChEMBL
somapacitan

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