General Information of the Compound
| Compound ID |
CP0511188
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| Compound Name |
2-[4-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-2-oxoacetyl]naphthalen-1-yl]oxyethyl-trimethylazanium;2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C31H38F3N3O8S
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| Molecular Weight |
669.719
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| Canonical SMILES |
[O-]C(=O)C(F)(F)F.COc1c(NC(=O)C(=O)c2ccc(OCC[N+](C)(C)C)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
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| InChI |
InChI=1S/C29H37N3O6S.C2HF3O2/c1-29(2,3)19-17-23(27(37-7)24(18-19)31-39(8,35)36)30-28(34)26(33)22-13-14-25(38-16-15-32(4,5)6)21-12-10-9-11-20(21)22;3-2(4,5)1(6)7/h9-14,17-18,31H,15-16H2,1-8H3;(H,6,7)
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| InChIKey |
NBZOVZUZNXOOCN-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