General Information of the Compound
| Compound ID |
CP0307955
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| Compound Name |
3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C30H32N4O6S
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| Molecular Weight |
576.675
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| Canonical SMILES |
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2cccc(OC)c2)c1
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| InChI |
InChI=1S/C30H32N4O6S/c1-21-10-11-24(18-28(21)41(36,37)34-12-14-40-15-13-34)31-30(35)27-20-33(19-22-6-4-8-25(16-22)38-2)32-29(27)23-7-5-9-26(17-23)39-3/h4-11,16-18,20H,12-15,19H2,1-3H3,(H,31,35)
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| InChIKey |
XXNVDPKYCNQNMD-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