General Information of the Compound
| Compound ID |
CP0702268
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| Compound Name |
N-[1-[4-(2-(S)-trimethylammonium-6-trimethylammoniumhexanoyl)-piperazin-1-yl]-cyclopentyl]-2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonamide
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| Structure |
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| Formula |
C40H58Cl2N6O5S+2
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| Molecular Weight |
805.914
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C40H58Cl2N6O5S/c1-28-26-29(2)43-37-30(28)14-13-16-34(37)53-27-31-32(41)17-18-35(36(31)42)54(51,52)44-40(19-10-11-20-40)39(50)46-23-21-45(22-24-46)38(49)33(48(6,7)8)15-9-12-25-47(3,4)5/h13-14,16-18,26,33,44H,9-12,15,19-25,27H2,1-8H3/q+2/t33-/m0/s1
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| InChIKey |
OZDVKEYRBSMIOJ-XIFFEERXSA-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