General Information of the Compound
| Compound ID |
CP0515422
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| Compound Name |
US9422293, 282
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| Structure |
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| Formula |
C23H25F3N6O2S
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| Molecular Weight |
506.554
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1S(C)(=O)=O
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| InChI |
InChI=1S/C23H25F3N6O2S/c1-14(2)20-30-17-9-12-32(22-18(35(3,33)34)5-4-10-27-22)11-8-16(17)21(31-20)29-15-6-7-19(28-13-15)23(24,25)26/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,29,30,31)
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| InChIKey |
ABVCSRNWIASOPF-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1