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Small molecule Experimental

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Chemistry

Mol. Mass

330.7

ALogP

2.32

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C1C[C@H](c2cc(F)c(F)c(F)c2)CN1Cn1ncnc1Cl
  • InChIKey: GPGBFZCJDZALPN-QMMMGPOBSA-N
    InChI=1S/C13H10ClF3N4O/c14-13-18-5-19-21(13)6-20-4-8(3-11(20)22)7-1-9(15)12(17)10(16)2-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314929   ChEMBL
sdi-118

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