General Information of the Compound
| Compound ID |
CP0579429
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| Compound Name |
US10660877, Example 31
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| Structure |
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| Formula |
C23H29N3
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| Molecular Weight |
347.506
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)ncc1C
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| InChI |
InChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3
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| InChIKey |
SPDNWFVSOMYGJA-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