adh-1 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

570.7

ALogP

-2.05

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
  • InChIKey: FQVLRGLGWNWPSS-BXBUPLCLSA-N
    InChI=1S/C22H34N8O6S2/c1-10(2)17-22(36)29-15(18(23)32)7-37-38-8-16(27-12(4)31)21(35)28-14(5-13-6-24-9-25-13)20(34)26-11(3)19(33)30-17/h6,9-11,14-17H,5,7-8H2,1-4H3,(H2,23,32)(H,24,25)(H,26,34)(H,27,31)(H,28,35)(H,29,36)(H,30,33)/t11-,14-,15-,16-,17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3818130   ChEMBL
adh-1

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