General Information of the Compound
| Compound ID |
CP0543490
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| Compound Name |
sodium;bis(1-propan-2-yloxybenzo[b][1]benzothiepin-5-yl) phosphate
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| Structure |
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| Formula |
C34H30NaO6PS2
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| Molecular Weight |
652.706
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| Canonical SMILES |
[Na+].CC(C)Oc1cccc2c1Sc1ccccc1C=C2OP([O-])(=O)OC1=Cc2ccccc2Sc2c(OC(C)C)cccc12
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| InChI |
InChI=1S/C34H31O6PS2.Na/c1-21(2)37-27-15-9-13-25-29(19-23-11-5-7-17-31(23)42-33(25)27)39-41(35,36)40-30-20-24-12-6-8-18-32(24)43-34-26(30)14-10-16-28(34)38-22(3)4;/h5-22H,1-4H3,(H,35,36);/q;+1/p-1
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| InChIKey |
QICNENXXYMPFOV-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