General Information of the Compound
| Compound ID |
CP0867006
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| Compound Name |
2-Chloro-5-{[(7-{[(7-{[(4-chloro-3-sulfophenyl)amino]sulfonyl}(2-naphthyl))amino]carbonylamino}(2-naphthyl))sulfonyl]amino}benzenesulfonic acid, Disodium Salt
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| Structure |
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| Formula |
C33H22Cl2N4Na2O11S4
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| Molecular Weight |
895.71
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| Canonical SMILES |
O=C(Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
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| InChI |
InChI=1S/C33H24Cl2N4O11S4.2Na/c34-29-11-7-25(17-31(29)53(45,46)47)38-51(41,42)27-9-3-19-1-5-23(13-21(19)15-27)36-33(40)37-24-6-2-20-4-10-28(16-22(20)14-24)52(43,44)39-26-8-12-30(35)32(18-26)54(48,49)50;;/h1-18,38-39H,(H2,36,37,40)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
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| InChIKey |
AUDXOZDAGMICDL-UHFFFAOYSA-L
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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