General Information of the Compound
| Compound ID |
CP0517235
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| Compound Name |
US9422293, 125
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| Structure |
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| Formula |
C25H26Cl2F3N5
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| Molecular Weight |
524.418
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(NCCc2c(Cl)cccc2Cl)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H26Cl2F3N5/c1-15(2)22-33-21-10-14-35(24-18(25(28,29)30)5-4-11-32-24)13-9-17(21)23(34-22)31-12-8-16-19(26)6-3-7-20(16)27/h3-7,11,15H,8-10,12-14H2,1-2H3,(H,31,33,34)
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| InChIKey |
GKPVQZHGHPDUJL-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