runcaciguat Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

488.33

ALogP

6.88

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H]([C@H](C(=O)Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F
  • InChIKey: NCRMKIWHFXSBGZ-CNBXIYLPSA-N
    InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650322   ChEMBL
runcaciguat

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