General Information of the Compound
| Compound ID |
CP0479616
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| Compound Name |
US9422293, 372
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| Structure |
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| Formula |
C29H35F3N6S
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| Molecular Weight |
556.702
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| Canonical SMILES |
CC(C)Sc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H35F3N6S/c1-18(2)39-27-35-23-11-15-38(26-22(29(30,31)32)7-6-13-33-26)14-10-20(23)25(36-27)34-19-8-9-21-24(17-19)37(5)16-12-28(21,3)4/h6-9,13,17-18H,10-12,14-16H2,1-5H3,(H,34,35,36)
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| InChIKey |
UWGRZAIMMIJYCV-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