General Information of the Compound
| Compound ID |
CP0853729
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| Compound Name |
(R)-2-tert-butyl-6-(1-cyclobutyl-1H-1,2,4-triazol-5-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C23H26Cl2N6
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| Molecular Weight |
457.409
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| Canonical SMILES |
CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(C)(C)C)cc2N1
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| InChI |
InChI=1S/C23H26Cl2N6/c1-13-20(22-26-12-27-30(22)15-6-5-7-15)21(14-8-9-16(24)17(25)10-14)31-19(28-13)11-18(29-31)23(2,3)4/h8-12,15,21,28H,5-7H2,1-4H3/t21-/m1/s1
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| InChIKey |
YJJSTANVTFBBBL-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