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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

627.8

ALogP

4.51

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC
  • InChIKey: CDSBFDCCJJDFCV-CKZSCMLPSA-N
    InChI=1S/C33H45N3O7S/c1-6-43-25-8-9-27-26(22-25)33(14-11-23(12-15-33)13-16-35-17-19-42-20-18-35)31(38)36(27)44(39,40)29-10-7-24(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-23H,6,11-20H2,1-5H3,(H,34,37)/t23-,33+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107777   ChEMBL
satavaptan

Satavaptan   Wikipedia

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