xl999 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank

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Chemistry

Mol. Mass

445.54

ALogP

4.66

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN1CCC(Nc2ccc3c(c2)/C(=C(\c2cccc(F)c2)c2nc(C)c[nH]2)C(=O)N3)CC1
  • InChIKey: DMQYDVBIPXAAJA-VHXPQNKSSA-N
    InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545285   ChEMBL
xl-999

CHEMBL5314391   ChEMBL
xl-999

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