General Information of the Compound
| Compound ID |
CP0550241
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| Compound Name |
sodium;bis(1-ethoxybenzo[b][1]benzothiepin-5-yl) phosphate
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| Structure |
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| Formula |
C32H26NaO6PS2
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| Molecular Weight |
624.652
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| Canonical SMILES |
[Na+].CCOc1cccc2c1Sc1ccccc1C=C2OP([O-])(=O)OC1=Cc2ccccc2Sc2c(OCC)cccc12
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| InChI |
InChI=1S/C32H27O6PS2.Na/c1-3-35-25-15-9-13-23-27(19-21-11-5-7-17-29(21)40-31(23)25)37-39(33,34)38-28-20-22-12-6-8-18-30(22)41-32-24(28)14-10-16-26(32)36-4-2;/h5-20H,3-4H2,1-2H3,(H,33,34);/q;+1/p-1
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| InChIKey |
ABIYBOGWZCKJCZ-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