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Chemistry

Mol. Mass

398.5

ALogP

3.29

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC#CC[C@H](C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2Oc3c(CCCC(=O)O)cccc3[C@H]12
  • InChIKey: CTPOHARTNNSRSR-NOQAJONNSA-N
    InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3137314   ChEMBL
esuberaprost

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