General Information of the Compound
| Compound ID |
CP0902272
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| Compound Name |
US9187424, 12
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| Structure |
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| Formula |
C22H21F6N7O
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| Molecular Weight |
513.446
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3cnn(CCCCC(F)(F)F)c3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C22H21F6N7O/c1-13-4-6-14(7-5-13)16-10-20(22(26,27)28,30-19(36)17(16)18-31-33-34-32-18)15-11-29-35(12-15)9-3-2-8-21(23,24)25/h4-7,11-12H,2-3,8-10H2,1H3,(H,30,36)(H,31,32,33,34)
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| InChIKey |
HRTGGPYYUGNMKU-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