Felypressin Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

1039.25

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: NCCCC[C@H](CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
  • InChIKey: JEFCJMMLFXHSSX-AVIVMPHOSA-N
    InChI=1S/C47H66N12O11S2/c48-18-8-7-14-29(41(64)53-24-40(52)63)22-37(60)36-15-9-19-59(36)47(70)35-26-72-71-25-30(49)42(65)55-32(20-27-10-3-1-4-11-27)45(68)56-33(21-28-12-5-2-6-13-28)44(67)54-31(16-17-38(50)61)43(66)57-34(23-39(51)62)46(69)58-35/h1-6,10-13,29-36H,7-9,14-26,48-49H2,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,64)(H,54,67)(H,55,65)(H,56,68)(H,57,66)(H,58,69)/t29-,30+,31+,32+,33+,34+,35+,36+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1908309   ChEMBL
felypressin

CHEMBL3989781   ChEMBL
felypressin

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