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Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

489.9

ALogP

3.03

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)o1
  • InChIKey: ZQYJPMPXQLNTPQ-QCUYGVNKSA-N
    InChI=1S/C21H21ClFN7O4/c1-21(2,3)20-29-28-18(34-20)15-13(31)14(32)19(33-15)30-8-26-12-16(24-7-25-17(12)30)27-11-5-4-9(22)6-10(11)23/h4-8,13-15,19,31-32H,1-3H3,(H,24,25,27)/t13-,14+,15-,19+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545223   ChEMBL
gw493838

CHEMBL5314395   ChEMBL
gw493838

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