General Information of the Compound
| Compound ID |
CP0578502
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| Compound Name |
4-[methyl-[2-[[3-[[2-[[4-[2-[4-(methylsulfamoylcarbamoyl)phenyl]ethyl]phenyl]carbamoyl]-6-piperidin-1-ylpyridin-3-yl]carbamoyl]phenyl]methyl-pentan-3-ylamino]ethyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C47H60N8O8S
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| Molecular Weight |
897.112
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(=O)NS(=O)(=O)NC)cc1)N1CCCCC1
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| InChI |
InChI=1S/C47H60N8O8S/c1-5-39(6-2)55(30-29-53(4)42(56)25-26-43(57)58)32-35-11-10-12-37(31-35)45(59)50-40-23-24-41(54-27-8-7-9-28-54)51-44(40)47(61)49-38-21-17-34(18-22-38)14-13-33-15-19-36(20-16-33)46(60)52-64(62,63)48-3/h10-12,15-24,31,39,48H,5-9,13-14,25-30,32H2,1-4H3,(H,49,61)(H,50,59)(H,52,60)(H,57,58)
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| InChIKey |
YPSNCWUCGSBGKX-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