General Information of the Compound
| Compound ID |
CP0864268
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| Compound Name |
(R)-6-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)-7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C22H24Cl2N6
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| Molecular Weight |
443.382
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| Canonical SMILES |
CC1=C(c2ncnn2C2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
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| InChI |
InChI=1S/C22H24Cl2N6/c1-13-10-19-27-14(2)20(22-25-12-26-29(22)16-6-4-3-5-7-16)21(30(19)28-13)15-8-9-17(23)18(24)11-15/h8-12,16,21,27H,3-7H2,1-2H3/t21-/m1/s1
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| InChIKey |
CQAWGBMMDZUZHZ-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