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Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

527.51

ALogP

4.76

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1/c(=N\C#N)n(-c2ccc(C(C)(C)C#N)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21
  • InChIKey: VJLRLTSXTLICIR-AUGOTPMTSA-N
    InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)/b37-25+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545322   ChEMBL
panulisib

CHEMBL5095025   ChEMBL
panulisib

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