General Information of the Compound
| Compound ID |
CP0511190
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| Compound Name |
2-[2-[4-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-2-oxoacetyl]naphthalen-1-yl]oxyethyl-(carboxymethyl)amino]acetic acid
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| Structure |
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| Formula |
C30H35N3O10S
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| Molecular Weight |
629.688
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN(CC(O)=O)CC(O)=O)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
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| InChI |
InChI=1S/C30H35N3O10S/c1-30(2,3)18-14-22(28(42-4)23(15-18)32-44(5,40)41)31-29(39)27(38)21-10-11-24(20-9-7-6-8-19(20)21)43-13-12-33(16-25(34)35)17-26(36)37/h6-11,14-15,32H,12-13,16-17H2,1-5H3,(H,31,39)(H,34,35)(H,36,37)
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| InChIKey |
KPKQLGCKIABZDW-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