General Information of the Compound
| Compound ID |
CP0534619
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| Compound Name |
1-[2-[4-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-2-oxoacetyl]naphthalen-1-yl]oxyethyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C32H39N3O8S
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| Molecular Weight |
625.744
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCC(CC3)C(O)=O)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
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| InChI |
InChI=1S/C32H39N3O8S/c1-32(2,3)21-18-25(29(42-4)26(19-21)34-44(5,40)41)33-30(37)28(36)24-10-11-27(23-9-7-6-8-22(23)24)43-17-16-35-14-12-20(13-15-35)31(38)39/h6-11,18-20,34H,12-17H2,1-5H3,(H,33,37)(H,38,39)
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| InChIKey |
JTCJLHTWGXKTKZ-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