General Information of the Compound
| Compound ID |
CP0477119
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| Compound Name |
US10028961, Compound 239
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| Structure |
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| Formula |
C23H21F5N8O
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| Molecular Weight |
520.466
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(N[C@@H]2CN(C(=O)C2)c2ccccn2)n1
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| InChI |
InChI=1S/C23H21F5N8O/c24-22(25)8-7-13(11-22)30-20-33-19(15-4-3-5-16(32-15)23(26,27)28)34-21(35-20)31-14-10-18(37)36(12-14)17-6-1-2-9-29-17/h1-6,9,13-14H,7-8,10-12H2,(H2,30,31,33,34,35)/t13?,14-/m0/s1
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| InChIKey |
JXQUUPVCXHTUAY-KZUDCZAMSA-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