General Information of the Compound
| Compound ID |
CP0702267
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| Compound Name |
[5-(4-(1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl]-piperazin-1-yl)-4(S)-trimethylammonio-5-oxo-pentyl]trimethyl-ammonium
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| Structure |
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| Formula |
C39H56Cl2N6O5S+2
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| Molecular Weight |
791.887
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C39H56Cl2N6O5S/c1-27-25-28(2)42-36-29(27)13-11-15-33(36)52-26-30-31(40)16-17-34(35(30)41)53(50,51)43-39(18-9-10-19-39)38(49)45-22-20-44(21-23-45)37(48)32(47(6,7)8)14-12-24-46(3,4)5/h11,13,15-17,25,32,43H,9-10,12,14,18-24,26H2,1-8H3/q+2/t32-/m0/s1
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| InChIKey |
YBXZHIHWNYKOOP-YTTGMZPUSA-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