General Information of the Compound
| Compound ID |
CP0547005
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| Compound Name |
US10660877, Example 43
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| Structure |
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| Formula |
C25H33N3
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| Molecular Weight |
375.56
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1c(C)c(C)nc(C)c1C
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| InChI |
InChI=1S/C25H33N3/c1-14(2)23-21-13-20(19-9-11-26-12-10-19)7-8-22(21)28-25(23)24-15(3)17(5)27-18(6)16(24)4/h7-8,13-14,19,26,28H,9-12H2,1-6H3
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| InChIKey |
VXASVEDHEJYYKS-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