General Information of the Compound
Compound ID |
CP0412203
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Compound Name |
US9199981, F173
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Structure |
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Formula |
C22H17F2N9O2
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Molecular Weight |
477.435
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Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1nnn[nH]1)-c1noc(n1)C1CC(F)(F)C1
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InChI |
InChI=1S/C22H17F2N9O2/c1-11-2-3-12(18-27-21(35-30-18)14-7-22(23,24)8-14)6-15(11)26-20(34)16-9-25-17-5-4-13(10-33(16)17)19-28-31-32-29-19/h2-6,9-10,14H,7-8H2,1H3,(H,26,34)(H,28,29,31,32)
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InChIKey |
LCVYYYBKDYZYNO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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