General Information of the Compound
| Compound ID |
CP0723795
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-6-(1-(6-ethoxypyridin-2-yl)-1H-1,2,4-triazol-5-yl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C23H18Cl2F3N7O
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| Molecular Weight |
536.345
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| Canonical SMILES |
CCOc1cccc(-n2ncnc2C2=C(C)Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1
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| InChI |
InChI=1S/C23H18Cl2F3N7O/c1-3-36-19-6-4-5-17(32-19)35-22(29-11-30-35)20-12(2)31-18-10-16(23(26,27)28)33-34(18)21(20)13-7-8-14(24)15(25)9-13/h4-11,21,31H,3H2,1-2H3/t21-/m1/s1
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| InChIKey |
XQEWVSFSVXZZKG-OAQYLSRUSA-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