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Chemistry

Mol. Mass

776.37

ALogP

2.85

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]3O
  • InChIKey: PAEBIVWUMLRPSK-IDTAVKCVSA-N
    InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL334966   ChEMBL
cangrelor *

CHEMBL1097279   ChEMBL
cangrelor tetrasodium

6AQ1Y404U7   NCATS
cangrelor *

Cangrelor   Wikipedia

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