General Information of the Compound
| Compound ID |
CP0474959
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| Compound Name |
US9422293, 297
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| Structure |
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| Formula |
C27H31F3N6O2S
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| Molecular Weight |
560.646
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| Canonical SMILES |
CCS(=O)(=O)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2CC1)N1CCCCC1
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| InChI |
InChI=1S/C27H31F3N6O2S/c1-2-39(37,38)23-7-6-14-31-25(23)35-17-12-21-22(13-18-35)33-26(36-15-4-3-5-16-36)34-24(21)32-20-10-8-19(9-11-20)27(28,29)30/h6-11,14H,2-5,12-13,15-18H2,1H3,(H,32,33,34)
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| InChIKey |
QQEQEUKNJBHKEX-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