General Information of the Compound
| Compound ID |
CP0404365
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| Compound Name |
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-1-hydroxy-3-propylurea
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| Structure |
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| Formula |
C24H25ClN4O3
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| Molecular Weight |
452.942
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| Canonical SMILES |
CCCNC(=O)N(O)C(C)C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H25ClN4O3/c1-4-15-26-24(30)29(31)17(2)5-10-20-16-23(18-6-8-19(25)9-7-18)28(27-20)21-11-13-22(32-3)14-12-21/h6-9,11-14,16-17,31H,4,15H2,1-3H3,(H,26,30)
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| InChIKey |
JXEOEDBENBQXNY-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