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Chemistry

Mol. Mass

530.56

ALogP

3.86

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(NC(=O)OC[C@@H]2COCCN2)cn3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c13
  • InChIKey: LUJZZYWHBDHDQX-QFIPXVFZSA-N
    InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1645462   ChEMBL
ac-480

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