General Information of the Compound
| Compound ID |
CP0547004
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| Compound Name |
US10660877, Example 6
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| Structure |
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| Formula |
C22H24F3N3
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| Molecular Weight |
387.449
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N3/c1-13(2)20-17-11-15(14-5-8-26-9-6-14)3-4-18(17)28-21(20)16-7-10-27-19(12-16)22(23,24)25/h3-4,7,10-14,26,28H,5-6,8-9H2,1-2H3
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| InChIKey |
AQGAQCUFGPSJCB-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