General Information of the Compound
| Compound ID |
CP0575860
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| Compound Name |
US10660877, Example 63
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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 |
CCc1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1
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| InChI |
InChI=1S/C21H25N3/c1-3-18-19-13-16(15-6-9-22-10-7-15)4-5-20(19)24-21(18)17-8-11-23-14(2)12-17/h4-5,8,11-13,15,22,24H,3,6-7,9-10H2,1-2H3
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| InChIKey |
YLTQYNWFZDDEKQ-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