General Information of the Compound
| Compound ID |
CP0474107
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| Compound Name |
3-[2-[4-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-2-oxoacetyl]naphthalen-1-yl]oxyethylamino]-3-oxopropanoic acid
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| Structure |
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| Formula |
C29H33N3O9S
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| Molecular Weight |
599.662
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCNC(=O)CC(O)=O)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
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| InChI |
InChI=1S/C29H33N3O9S/c1-29(2,3)17-14-21(27(40-4)22(15-17)32-42(5,38)39)31-28(37)26(36)20-10-11-23(19-9-7-6-8-18(19)20)41-13-12-30-24(33)16-25(34)35/h6-11,14-15,32H,12-13,16H2,1-5H3,(H,30,33)(H,31,37)(H,34,35)
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| InChIKey |
OZJDWBGEXPTAJH-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