General Information of the Compound
| Compound ID |
CP0543452
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| Compound Name |
US10660877, Example 5
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| Structure |
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| Formula |
C22H27N3
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| Molecular Weight |
333.479
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1
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| InChI |
InChI=1S/C22H27N3/c1-14(2)21-19-13-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-15(3)12-18/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3
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| InChIKey |
XZDGZZFKEYIZAS-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