General Information of the Compound
| Compound ID |
CP0437613
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| Compound Name |
1-hydroxy-1-[3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-ynyl]urea
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(N)=O
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| InChI |
InChI=1S/C21H20N4O3/c1-15-5-7-16(8-6-15)20-14-17(4-3-13-24(27)21(22)26)23-25(20)18-9-11-19(28-2)12-10-18/h5-12,14,27H,13H2,1-2H3,(H2,22,26)
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| InChIKey |
ORCVGIFRMHFWMR-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