General Information of the Compound
| Compound ID |
CP0520664
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| Compound Name |
US8802663, 19
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| Structure |
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| Formula |
C20H17F2N5O
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| Molecular Weight |
381.386
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| Canonical SMILES |
CC(C)Cn1ncc(-c2nc(no2)-c2cc(F)ccc2F)c1-c1ccncc1
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| InChI |
InChI=1S/C20H17F2N5O/c1-12(2)11-27-18(13-5-7-23-8-6-13)16(10-24-27)20-25-19(26-28-20)15-9-14(21)3-4-17(15)22/h3-10,12H,11H2,1-2H3
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| InChIKey |
KAFKKCPRNFKDGS-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