General Information of the Compound
| Compound ID |
CP0480868
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| Compound Name |
US9422293, 363
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| Structure |
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| Formula |
C26H25F6N5O3S2
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| Molecular Weight |
633.64
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| Canonical SMILES |
CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H25F6N5O3S2/c1-15-21(10-14-40-15)41-24-35-20-9-13-37(23-19(25(27,28)29)3-2-11-33-23)12-8-18(20)22(36-24)34-16-4-6-17(7-5-16)42(38,39)26(30,31)32/h2-7,11,15,21H,8-10,12-14H2,1H3,(H,34,35,36)
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| InChIKey |
CJQGAUQGFUJCNK-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