General Information of the Compound
| Compound ID |
CP0307956
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| Compound Name |
1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-propan-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H32N4O5S
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| Molecular Weight |
512.632
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| Canonical SMILES |
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
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| InChI |
InChI=1S/C26H32N4O5S/c1-18(2)25-23(17-29(28-25)16-20-6-5-7-22(14-20)34-4)26(31)27-21-9-8-19(3)24(15-21)36(32,33)30-10-12-35-13-11-30/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,27,31)
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| InChIKey |
JUSWNHGYLDZDNB-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