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Small molecule Experimental

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Chemistry

Mol. Mass

590.74

ALogP

4.79

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=C1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC3(CC1)CN(c1ncncc1Oc1ccc(F)cc1C(=O)N(C(C)C)C(C)C)C3)N2
  • InChIKey: JQHJEDMMWUIYCE-FVVBACEJSA-N
    InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314915   ChEMBL
dsp-5336

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