orvepitant Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

628.63

ALogP

6.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c2ccc(F)cc2C)N3CCN4[C@@H](CCC4=O)C3)c5cc(cc(c5)C(F)(F)F)C(F)(F)F
  • InChIKey: XWNBGDJPEXZSQM-VZOBGQTKSA-N
    InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105667   ChEMBL
orvepitant *

CHEMBL2105668   ChEMBL
orvepitant maleate

Orvepitant   Wikipedia

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