General Information of the Compound
| Compound ID |
CP0515210
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| Compound Name |
US9422293, 205
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| Structure |
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| Formula |
C25H27F3N6S
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| Molecular Weight |
500.594
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc3CCCN(C)c3c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6S/c1-33-12-4-5-16-7-8-17(15-21(16)33)30-22-18-9-13-34(14-10-20(18)31-24(32-22)35-2)23-19(25(26,27)28)6-3-11-29-23/h3,6-8,11,15H,4-5,9-10,12-14H2,1-2H3,(H,30,31,32)
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| InChIKey |
AIRCZUBXQHNXNZ-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