General Information of the Compound
| Compound ID |
CP0520259
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| Compound Name |
1-[1-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylpent-1-yn-3-yl]-1-hydroxyurea
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| Structure |
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| Formula |
C23H23ClN4O3
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| Molecular Weight |
438.915
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C(C)C)N(O)C(N)=O
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| InChI |
InChI=1S/C23H23ClN4O3/c1-15(2)21(28(30)23(25)29)13-8-18-14-22(16-4-6-17(24)7-5-16)27(26-18)19-9-11-20(31-3)12-10-19/h4-7,9-12,14-15,21,30H,1-3H3,(H2,25,29)
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| InChIKey |
KPUGFSWFSAUDGJ-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