General Information of the Compound
| Compound ID |
CP0413293
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| Compound Name |
US9422293, 98
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| Structure |
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| Formula |
C22H20Cl2F3N5S
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| Molecular Weight |
514.404
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(NCc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H20Cl2F3N5S/c1-33-21-30-18-7-10-32(20-15(22(25,26)27)3-2-8-28-20)9-6-14(18)19(31-21)29-12-13-4-5-16(23)17(24)11-13/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,29,30,31)
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| InChIKey |
AWDFZCVZVPLLAI-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