General Information of the Compound
| Compound ID |
CP0514455
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| Compound Name |
1-[3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]prop-2-ynyl]-1-hydroxyurea
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| Structure |
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| Formula |
C20H17ClN4O3
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| Molecular Weight |
396.834
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CCN(O)C(N)=O
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| InChI |
InChI=1S/C20H17ClN4O3/c1-28-18-10-8-17(9-11-18)25-19(14-4-6-15(21)7-5-14)13-16(23-25)3-2-12-24(27)20(22)26/h4-11,13,27H,12H2,1H3,(H2,22,26)
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| InChIKey |
AYDNYRGVUVKXMA-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