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Chemistry

Mol. Mass

569.6508

ALogP

4.16

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C3=CC=CC=C3)C(=O)[C@@H](N)CC4=C(C)C=C(C=C4C)C(N)=O)C=C1C(O)=O
  • InChIKey: QFNHIDANIVGXPE-FNZWTVRRSA-N
    1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2159122   ChEMBL
eluxadoline

45TPJ4MBQ1   NCATS
eluxadoline *

Eluxadoline   Wikipedia

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