General Information of the Compound
| Compound ID |
CP0543448
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| Compound Name |
US10660877, Example 38
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| Structure |
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| Formula |
C21H25N3
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| Molecular Weight |
319.452
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccncc1
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| InChI |
InChI=1S/C21H25N3/c1-14(2)20-18-13-17(15-5-9-22-10-6-15)3-4-19(18)24-21(20)16-7-11-23-12-8-16/h3-4,7-8,11-15,22,24H,5-6,9-10H2,1-2H3
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| InChIKey |
LZBQEOOGVHEDRW-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