General Information of the Compound
| Compound ID |
CP0528849
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| Compound Name |
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-1-hydroxyurea
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| Structure |
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| Formula |
C21H19ClN4O3
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| Molecular Weight |
410.861
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O
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| InChI |
InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)
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| InChIKey |
REPFJMCRPKRDTP-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