General Information of the Compound
| Compound ID |
CP0829542
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| Compound Name |
[(S)-5-amino-1-(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazine-1-carbonyl)-pentyl]-trimethyl-ammonium
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| Structure |
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| Formula |
C37H51Cl2N6O5S+
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| Molecular Weight |
762.825
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCCN)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C37H51Cl2N6O5S/c1-25-23-26(2)41-34-27(25)11-10-13-31(34)50-24-28-29(38)14-15-32(33(28)39)51(48,49)42-37(16-7-8-17-37)36(47)44-21-19-43(20-22-44)35(46)30(45(3,4)5)12-6-9-18-40/h10-11,13-15,23,30,42H,6-9,12,16-22,24,40H2,1-5H3/q+1/t30-/m0/s1
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| InChIKey |
KGVCQYGFCAZHMO-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