General Information of the Compound
| Compound ID |
CP0518412
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| Compound Name |
US9422293, 224
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| Structure |
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| Formula |
C27H27ClF6N6
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| Molecular Weight |
584.996
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCCC2)cc1Cl
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| InChI |
InChI=1S/C27H27ClF6N6/c28-21-16-17(7-8-19(21)26(29,30)31)36-23-18-9-14-39(24-20(27(32,33)34)6-5-11-35-24)15-10-22(18)37-25(38-23)40-12-3-1-2-4-13-40/h5-8,11,16H,1-4,9-10,12-15H2,(H,36,37,38)
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| InChIKey |
SSBYJOYERIGZEI-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