General Information of the Compound
| Compound ID |
CP0829545
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| Compound Name |
N-{2-[4-((S)-2-amino-6-guanidino-hexanoyl)-piperazin-1-yl]-1,1-dimethyl-2-oxo-ethyl}-2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonamide
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| Structure |
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| Formula |
C33H44Cl2N8O5S
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| Molecular Weight |
735.739
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H](N)CCCCNC(=N)N)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C33H44Cl2N8O5S/c1-20-18-21(2)40-29-22(20)8-7-10-26(29)48-19-23-24(34)11-12-27(28(23)35)49(46,47)41-33(3,4)31(45)43-16-14-42(15-17-43)30(44)25(36)9-5-6-13-39-32(37)38/h7-8,10-12,18,25,41H,5-6,9,13-17,19,36H2,1-4H3,(H4,37,38,39)/t25-/m0/s1
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| InChIKey |
MEAFUDSYUNUCEX-VWLOTQADSA-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