General Information of the Compound
| Compound ID |
CP0573046
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| Compound Name |
sodium;bis(benzo[b][1]benzothiepin-5-yl) phosphate
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| Structure |
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| Formula |
C28H18NaO4PS2
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| Molecular Weight |
536.546
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| Canonical SMILES |
[Na+].[O-]P(=O)(OC1=Cc2ccccc2Sc2ccccc12)OC1=Cc2ccccc2Sc2ccccc12
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| InChI |
InChI=1S/C28H19O4PS2.Na/c29-33(30,31-23-17-19-9-1-5-13-25(19)34-27-15-7-3-11-21(23)27)32-24-18-20-10-2-6-14-26(20)35-28-16-8-4-12-22(24)28;/h1-18H,(H,29,30);/q;+1/p-1
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| InChIKey |
YHPSLTOOUSTOBR-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
Protein ID: PT04383, G-protein coupled receptor 84
Protein ID: PT07461, G-protein coupled receptor 84