General Information of the Compound
| Compound ID |
CP0922191
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-5-methyl-6-(1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C19H17Cl2F3N6
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| Molecular Weight |
457.287
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| Canonical SMILES |
CC1=C(c2ncnn2CCCC(F)(F)F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C19H17Cl2F3N6/c1-11-16(18-25-10-27-29(18)8-2-6-19(22,23)24)17(30-15(28-11)5-7-26-30)12-3-4-13(20)14(21)9-12/h3-5,7,9-10,17,28H,2,6,8H2,1H3/t17-/m1/s1
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| InChIKey |
RCSNPHHVCZFCAG-QGZVFWFLSA-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