General Information of the Compound
| Compound ID |
CP0495309
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| Compound Name |
US9422293, 249
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| Structure |
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| Formula |
C27H31F3N6
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| Molecular Weight |
496.581
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC2)cc1
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| InChI |
InChI=1S/C27H31F3N6/c1-26(2,3)18-7-9-19(10-8-18)32-23-20-11-16-35(24-21(27(28,29)30)6-4-13-31-24)17-12-22(20)33-25(34-23)36-14-5-15-36/h4,6-10,13H,5,11-12,14-17H2,1-3H3,(H,32,33,34)
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| InChIKey |
PHZRFTAWXVMMJG-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