syrosingopine Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG PubChem

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Chemistry

Mol. Mass

666.7148

ALogP

4.7

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)OC1=C(OC)C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C(NC6=C5C=CC(OC)=C6)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC
  • InChIKey: ZCDNRPPFBQDQHR-SSYATKPKSA-N
    1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1399124   ChEMBL
syrosingopine

PPG46JF0EG   NCATS
syrosingopine *

Syrosingopine   Wikipedia

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