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Small molecule Experimental

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Chemistry

Mol. Mass

618.99

ALogP

5.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCNCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
  • InChIKey: ILXYORNRQWAVQT-QVUQJGHASA-N
    InChI=1S/C37H70N4O3/c1-26(10-7-11-27(2)35(43)44)30-12-13-31-34-32(15-17-37(30,31)4)36(3)16-14-29(24-28(36)25-33(34)42)41-23-9-22-40-20-6-5-19-39-21-8-18-38/h26-34,39-42H,5-25,38H2,1-4H3,(H,43,44)/t26-,27?,28-,29+,30-,31+,32+,33-,34+,36+,37-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314916   ChEMBL
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