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Small molecule Experimental

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Chemistry

Mol. Mass

617.78

ALogP

4.55

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3N1C2
  • InChIKey: VCSUIBJKYCVWNF-NRFANRHFSA-N
    InChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314934   ChEMBL
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