General Information of the Compound
| Compound ID |
CP0886003
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| Compound Name |
(R)-6-(1-cyclobutyl-1H-1,2,4-triazol-5-yl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C20H17Cl2F3N6
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| Molecular Weight |
469.298
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| Canonical SMILES |
CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C20H17Cl2F3N6/c1-10-17(19-26-9-27-30(19)12-3-2-4-12)18(11-5-6-13(21)14(22)7-11)31-16(28-10)8-15(29-31)20(23,24)25/h5-9,12,18,28H,2-4H2,1H3/t18-/m1/s1
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| InChIKey |
GQQNUPUNQHLYST-GOSISDBHSA-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