General Information of the Compound
| Compound ID |
CP0574613
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| Compound Name |
sodium;bis(2-methoxybenzo[b][1]benzothiepin-5-yl) phosphate
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| Structure |
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| Formula |
C30H22NaO6PS2
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| Molecular Weight |
596.598
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| Canonical SMILES |
[Na+].COc1ccc2c(Sc3ccccc3C=C2OP([O-])(=O)OC2=Cc3ccccc3Sc3cc(OC)ccc23)c1
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| InChI |
InChI=1S/C30H23O6PS2.Na/c1-33-21-11-13-23-25(15-19-7-3-5-9-27(19)38-29(23)17-21)35-37(31,32)36-26-16-20-8-4-6-10-28(20)39-30-18-22(34-2)12-14-24(26)30;/h3-18H,1-2H3,(H,31,32);/q;+1/p-1
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| InChIKey |
VDFRFZPJNJUVKW-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