General Information of the Compound
| Compound ID |
CP0851087
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| Compound Name |
(7R)-7-(3,4-dichlorophenyl)-6-(1-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C22H18Cl2N6O
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| Molecular Weight |
453.333
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| Canonical SMILES |
COc1ccccc1-n1ncnc1C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H18Cl2N6O/c1-13-20(22-25-12-27-29(22)17-5-3-4-6-18(17)31-2)21(30-19(28-13)9-10-26-30)14-7-8-15(23)16(24)11-14/h3-12,21,28H,1-2H3/t21-/m1/s1
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| InChIKey |
SWHDFGKGKHTNCV-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