General Information of the Compound
| Compound ID |
CP0578600
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| Compound Name |
US10660877, Example 81
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| Structure |
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| Formula |
C21H24FN3
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| Molecular Weight |
337.442
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| Canonical SMILES |
CCc1c([nH]c2c(F)cc(cc12)C1CCNCC1)-c1ccnc(C)c1
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| InChI |
InChI=1S/C21H24FN3/c1-3-17-18-11-16(14-4-7-23-8-5-14)12-19(22)21(18)25-20(17)15-6-9-24-13(2)10-15/h6,9-12,14,23,25H,3-5,7-8H2,1-2H3
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| InChIKey |
GUEBYNSBHCJAKZ-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8