General Information of the Compound
| Compound ID |
CP0444920
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| Compound Name |
US9422293, 170
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| Structure |
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| Formula |
C25H19F6N7
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| Molecular Weight |
531.464
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccncc2)cn1
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| InChI |
InChI=1S/C25H19F6N7/c26-24(27,28)18-2-1-9-33-23(18)38-12-7-17-19(8-13-38)36-21(15-5-10-32-11-6-15)37-22(17)35-16-3-4-20(34-14-16)25(29,30)31/h1-6,9-11,14H,7-8,12-13H2,(H,35,36,37)
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| InChIKey |
BLXXEJYBIHUAMZ-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1