General Information of the Compound
| Compound ID |
CP0243760
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| Compound Name |
US9233968, 4
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| Structure |
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| Formula |
C22H14F4N6O
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| Molecular Weight |
454.387
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| Canonical SMILES |
Nc1cn2nc(ccc2n1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H14F4N6O/c23-17-9-4-14(22(24,25)26)11-18(17)29-21(33)28-15-5-1-13(2-6-15)3-7-16-8-10-20-30-19(27)12-32(20)31-16/h1-2,4-6,8-12H,27H2,(H2,28,29,33)
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| InChIKey |
BHKGZILBWHHNDQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound