General Information of the Compound
| Compound ID |
CP0012960
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| Compound Name |
3-(4-methoxyphenyl)-4,5,5-trimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazole
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
COc1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
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| InChI |
InChI=1S/C22H25N3O/c1-14-7-6-8-18(23-14)20-19(16-9-11-17(26-5)12-10-16)21-15(2)22(3,4)13-25(21)24-20/h6-12,15H,13H2,1-5H3
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| InChIKey |
PKVGMNWJRQHDGY-UHFFFAOYSA-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