General Information of the Compound
| Compound ID |
CP0512599
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| Compound Name |
US9422293, 373
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| Structure |
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| Formula |
C29H35F3N6OS
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| Molecular Weight |
572.701
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| Canonical SMILES |
CC(O)CSc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H35F3N6OS/c1-18(39)17-40-27-35-23-10-14-38(26-22(29(30,31)32)6-5-12-33-26)13-9-20(23)25(36-27)34-19-7-8-21-24(16-19)37(4)15-11-28(21,2)3/h5-8,12,16,18,39H,9-11,13-15,17H2,1-4H3,(H,34,35,36)
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| InChIKey |
FULRIAZHJIQCHL-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