General Information of the Compound
| Compound ID |
CP0570484
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| Compound Name |
sodium;bis(1,10-dimethoxybenzo[b][1]benzothiepin-5-yl) phosphate
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| Structure |
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| Formula |
C32H26NaO8PS2
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| Molecular Weight |
656.65
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| Canonical SMILES |
[Na+].COc1cccc2C=C(OP([O-])(=O)OC3=Cc4cccc(OC)c4Sc4c(OC)cccc34)c3cccc(OC)c3Sc12
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| InChI |
InChI=1S/C32H27O8PS2.Na/c1-35-23-13-5-9-19-17-27(21-11-7-15-25(37-3)31(21)42-29(19)23)39-41(33,34)40-28-18-20-10-6-14-24(36-2)30(20)43-32-22(28)12-8-16-26(32)38-4;/h5-18H,1-4H3,(H,33,34);/q;+1/p-1
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| InChIKey |
AMJQREBXNAKZHR-UHFFFAOYSA-M
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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