General Information of the Compound
| Compound ID |
CP0091584
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| Compound Name |
(6R)-6-tert-butyl-5-(2-methoxypyridin-4-yl)-2-(3-methylsulfonylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H26N4O3S/c1-22(2,3)21-20-15(13-25(21)16-9-10-23-19(12-16)29-4)14-26(24-20)17-7-6-8-18(11-17)30(5,27)28/h6-12,14,21H,13H2,1-5H3/t21-/m0/s1
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| InChIKey |
XOPXTKOQXWMGEF-NRFANRHFSA-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