General Information of the Compound
| Compound ID |
CP0839077
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| Compound Name |
[(S)-4-amino-5-(4-{4-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-1-methyl-piperidine-4-carbonyl}-piperazin-1-yl)-5-oxo-pentyl]-trimethyl-ammonium
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| Structure |
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| Formula |
C37H52Cl2N7O5S+
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| Molecular Weight |
777.84
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCN(C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C37H52Cl2N7O5S/c1-25-23-26(2)41-34-27(25)9-7-11-31(34)51-24-28-29(38)12-13-32(33(28)39)52(49,50)42-37(14-16-43(3)17-15-37)36(48)45-20-18-44(19-21-45)35(47)30(40)10-8-22-46(4,5)6/h7,9,11-13,23,30,42H,8,10,14-22,24,40H2,1-6H3/q+1/t30-/m0/s1
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| InChIKey |
WJEPXRSGCSZBGV-PMERELPUSA-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