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Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

508.634

ALogP

0.91

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=CC=CC3=C2NCC(C)C3
  • InChIKey: KXNPVXPOPUZYGB-IOVMHBDKSA-N
    1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1166   ChEMBL
argatroban

OCY3U280Y3   NCATS
argatroban anhydrous *

Argatroban   Wikipedia

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