General Information of the Compound
| Compound ID |
CP0432616
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| Compound Name |
[6-[[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]amino]pyridin-3-yl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
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| Structure |
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| Formula |
C24H23F3N10OS
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| Molecular Weight |
556.578
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| Canonical SMILES |
Cc1nn(C)cc1-c1nsc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
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| InChI |
InChI=1S/C24H23F3N10OS/c1-13-18(12-35(2)33-13)20-32-23(39-34-20)31-19-6-3-14(7-28-19)21(38)37-16-4-5-17(37)11-36(10-16)22-29-8-15(9-30-22)24(25,26)27/h3,6-9,12,16-17H,4-5,10-11H2,1-2H3,(H,28,31,32,34)
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| InChIKey |
MICKHMFMLIDUHK-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: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4