gs-9901 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

477.89

ALogP

2.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1
  • InChIKey: XDSXYMOZKDUASY-INIZCTEOSA-N
    InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3928407   ChEMBL
gs-9901

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