selatogrel Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

618.63

ALogP

1.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1
  • InChIKey: FYXHWMQPCJOJCH-GMAHTHKFSA-N
    InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297589   ChEMBL
selatogrel

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