General Information of the Compound
| Compound ID |
CP0453096
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| Compound Name |
1-[1-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]pent-1-yn-3-yl]-1-hydroxyurea
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| Structure |
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| Formula |
C22H21ClN4O3
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| Molecular Weight |
424.888
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| Canonical SMILES |
CCC(C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(N)=O
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| InChI |
InChI=1S/C22H21ClN4O3/c1-3-18(27(29)22(24)28)9-8-17-14-21(15-4-6-16(23)7-5-15)26(25-17)19-10-12-20(30-2)13-11-19/h4-7,10-14,18,29H,3H2,1-2H3,(H2,24,28)
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| InChIKey |
XCCCFZCTDKQFNN-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