General Information of the Compound
| Compound ID |
CP0131471
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| Compound Name |
1-(1,3-benzothiazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H27N5O4S2
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| Molecular Weight |
573.7
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C29H27N5O4S2/c1-19-7-10-21(11-8-19)27-23(18-34(32-27)29-31-24-5-3-4-6-25(24)39-29)28(35)30-22-12-9-20(2)26(17-22)40(36,37)33-13-15-38-16-14-33/h3-12,17-18H,13-16H2,1-2H3,(H,30,35)
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| InChIKey |
CPCPPWITBIJZTF-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