General Information of the Compound
| Compound ID |
CP0449652
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| Compound Name |
1-hydroxy-1-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]urea
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(N)=O
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| InChI |
InChI=1S/C22H22N4O3/c1-15-4-7-17(8-5-15)21-14-18(9-6-16(2)26(28)22(23)27)24-25(21)19-10-12-20(29-3)13-11-19/h4-5,7-8,10-14,16,28H,1-3H3,(H2,23,27)
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| InChIKey |
YZGUSJRDXUSEBT-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