General Information of the Compound
| Compound ID |
CP0574287
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| Compound Name |
sodium;bis(4-fluoro-10-methoxybenzo[b][1]benzothiepin-6-yl) phosphate
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| Structure |
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| Formula |
C30H20F2NaO6PS2
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| Molecular Weight |
632.578
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| Canonical SMILES |
[Na+].COc1cccc2c1Sc1cccc(F)c1C=C2OP([O-])(=O)OC1=Cc2c(F)cccc2Sc2c(OC)cccc12
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| InChI |
InChI=1S/C30H21F2O6PS2.Na/c1-35-23-11-3-7-17-25(15-19-21(31)9-5-13-27(19)40-29(17)23)37-39(33,34)38-26-16-20-22(32)10-6-14-28(20)41-30-18(26)8-4-12-24(30)36-2;/h3-16H,1-2H3,(H,33,34);/q;+1/p-1
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| InChIKey |
NANVZUOSVGLTEV-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