General Information of the Compound
| Compound ID |
CP0474960
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| Compound Name |
US9422293, 306
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| Structure |
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| Formula |
C22H21ClF3N5OS
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| Molecular Weight |
495.958
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C22H21ClF3N5OS/c1-33-21-29-18-7-9-31(20-17(23)10-13(12-32)11-27-20)8-6-16(18)19(30-21)28-15-4-2-14(3-5-15)22(24,25)26/h2-5,10-11,32H,6-9,12H2,1H3,(H,28,29,30)
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| InChIKey |
ANHZBUMWGGAWDL-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