General Information of the Compound
| Compound ID |
CP0413287
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| Compound Name |
US9422293, 63B
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| Structure |
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| Formula |
C22H21Cl2F3N6
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| Molecular Weight |
497.352
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| Canonical SMILES |
CN(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H21Cl2F3N6/c1-32(2)21-30-18-8-11-33(20-15(22(25,26)27)4-3-9-28-20)10-7-14(18)19(31-21)29-13-5-6-16(23)17(24)12-13/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,29,30,31)
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| InChIKey |
WRPMGFGYLHQODW-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