General Information of the Compound
| Compound ID |
CP0158102
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| Compound Name |
1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C30H29F3N4O5S
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| Molecular Weight |
614.646
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| Canonical SMILES |
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H29F3N4O5S/c1-20-6-11-24(17-27(20)43(39,40)37-12-14-42-15-13-37)34-29(38)26-19-36(18-21-4-3-5-25(16-21)41-2)35-28(26)22-7-9-23(10-8-22)30(31,32)33/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,34,38)
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| InChIKey |
LLVMLJDKSMPQIH-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