General Information of the Compound
| Compound ID |
CP0515867
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| Compound Name |
US9422293, 331
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| Structure |
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| Formula |
C25H23F6N5O4S
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| Molecular Weight |
603.545
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(OC3CCOC3)nc(Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C25H23F6N5O4S/c26-24(27,28)19-2-1-10-32-22(19)36-11-7-18-20(8-12-36)34-23(40-16-9-13-39-14-16)35-21(18)33-15-3-5-17(6-4-15)41(37,38)25(29,30)31/h1-6,10,16H,7-9,11-14H2,(H,33,34,35)
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| InChIKey |
DYRINJUXTGQZJE-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