General Information of the Compound
| Compound ID |
CP0688035
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-6-(1-(6-methoxypyridin-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 |
C22H16Cl2F3N7O
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| Molecular Weight |
522.318
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| Canonical SMILES |
COc1cccc(-n2ncnc2C2=C(C)Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1
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| InChI |
InChI=1S/C22H16Cl2F3N7O/c1-11-19(21-28-10-29-34(21)16-4-3-5-18(31-16)35-2)20(12-6-7-13(23)14(24)8-12)33-17(30-11)9-15(32-33)22(25,26)27/h3-10,20,30H,1-2H3/t20-/m1/s1
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| InChIKey |
NOYHLDMKZWLPBE-HXUWFJFHSA-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