General Information of the Compound
| Compound ID |
CP0569162
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| Compound Name |
US10660877, Example 82
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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 |
CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1
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| InChI |
InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3
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| InChIKey |
IPIPJCBHPFVOGC-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