General Information of the Compound
| Compound ID |
CP0484558
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| Compound Name |
methyl N-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-N-hydroxycarbamate
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| Structure |
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| Formula |
C22H20ClN3O4
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| Molecular Weight |
425.872
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| Canonical SMILES |
COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C22H20ClN3O4/c1-15(26(28)22(27)30-3)4-9-18-14-21(16-5-7-17(23)8-6-16)25(24-18)19-10-12-20(29-2)13-11-19/h5-8,10-15,28H,1-3H3
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| InChIKey |
CKQXIUFNWJAPTG-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