rolitetracycline (Synterin) Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

527.5662

ALogP

0.47

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(=O)NCN5CCCC5)=C1O
  • InChIKey: HMEYVGGHISAPJR-IAHYZSEUSA-N
    1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1237046   ChEMBL
rolitetracycline

GH9IW85221   NCATS
rolitetracycline *

Rolitetracycline   Wikipedia

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