General Information of the Compound
| Compound ID |
CP0409958
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| Compound Name |
1-hydroxy-1-[1-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-4-methylpent-1-yn-3-yl]urea
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O
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| InChI |
InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)
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| InChIKey |
JLMBKHWPBHBNOK-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