General Information of the Compound
| Compound ID |
CP0444905
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| Compound Name |
US9422293, 333
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| Structure |
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| Formula |
C29H33F3N6O3S
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| Molecular Weight |
602.683
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(OC3CCCC3)nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c2CC1
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| InChI |
InChI=1S/C29H33F3N6O3S/c30-29(31,32)24-8-5-15-33-27(24)37-18-13-23-25(14-19-37)35-28(41-21-6-1-2-7-21)36-26(23)34-20-9-11-22(12-10-20)42(39,40)38-16-3-4-17-38/h5,8-12,15,21H,1-4,6-7,13-14,16-19H2,(H,34,35,36)
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| InChIKey |
AMBOIFXWSJYRKD-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