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Small molecule Experimental
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Chemistry

Mol. Mass

474.71

ALogP

5.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](C\C=C\S(=O)(=O)C(C)(C)C)C1=CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
  • InChIKey: RFQHCLMGLJGZNV-UXXOMSPDSA-N
    InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105705   ChEMBL
lunacalcipol

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