General Information of the Compound
| Compound ID |
CP0531997
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| Compound Name |
5-{[(7-{[(7-{[(3-Carboxy-4-chlorophenyl)amino]sulfonyl}-5-hydroxy(2-naphthyl))amino]carbonylamino}-4-hydroxy(2-naphthyl))-sulfonyl]amino}-2-chlorobenzoic Acid
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| Structure |
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| Formula |
C35H24Cl2N4O11S2
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| Molecular Weight |
811.634
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| Canonical SMILES |
OC(=O)c1cc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl
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| InChI |
InChI=1S/C35H24Cl2N4O11S2/c36-29-7-3-21(13-27(29)33(44)45)40-53(49,50)23-11-17-9-19(1-5-25(17)31(42)15-23)38-35(48)39-20-2-6-26-18(10-20)12-24(16-32(26)43)54(51,52)41-22-4-8-30(37)28(14-22)34(46)47/h1-16,40-43H,(H,44,45)(H,46,47)(H2,38,39,48)
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| InChIKey |
ZXMLAUIJSKCGPN-UHFFFAOYSA-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