General Information of the Compound
| Compound ID |
CP0413275
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| Compound Name |
US9422293, 147
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| Structure |
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| Formula |
C28H28F3N5O
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| Molecular Weight |
507.56
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccoc2)cc1
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| InChI |
InChI=1S/C28H28F3N5O/c1-27(2,3)19-6-8-20(9-7-19)33-25-21-10-14-36(26-22(28(29,30)31)5-4-13-32-26)15-11-23(21)34-24(35-25)18-12-16-37-17-18/h4-9,12-13,16-17H,10-11,14-15H2,1-3H3,(H,33,34,35)
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| InChIKey |
XJROGCFXTSDZAN-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1