General Information of the Compound
| Compound ID |
CP0158051
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| Compound Name |
1-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H32N4O4S
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| Molecular Weight |
496.633
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| Canonical SMILES |
CCCCn1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C26H32N4O4S/c1-4-5-12-29-18-23(25(28-29)21-9-6-19(2)7-10-21)26(31)27-22-11-8-20(3)24(17-22)35(32,33)30-13-15-34-16-14-30/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,27,31)
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| InChIKey |
ZVODXZMLMYFNDI-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