General Information of the Compound
| Compound ID |
CP0490933
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| Compound Name |
US9422293, 335
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| Structure |
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| Formula |
C29H33F3N6O4S
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| Molecular Weight |
618.682
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(OC3CCOCC3)nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c2CC1
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| InChI |
InChI=1S/C29H33F3N6O4S/c30-29(31,32)24-4-3-13-33-27(24)37-16-9-23-25(10-17-37)35-28(42-21-11-18-41-19-12-21)36-26(23)34-20-5-7-22(8-6-20)43(39,40)38-14-1-2-15-38/h3-8,13,21H,1-2,9-12,14-19H2,(H,34,35,36)
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| InChIKey |
XSJXDXKBXGFTPG-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