General Information of the Compound
| Compound ID |
CP0579529
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| Compound Name |
sodium;bis(11-methylbenzo[b][1]benzazepin-5-yl) phosphate
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| Structure |
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| Formula |
C30H24N2NaO4P
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| Molecular Weight |
530.496
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| Canonical SMILES |
[Na+].CN1c2ccccc2C=C(OP([O-])(=O)OC2=Cc3ccccc3N(C)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C30H25N2O4P.Na/c1-31-25-15-7-3-11-21(25)19-29(23-13-5-9-17-27(23)31)35-37(33,34)36-30-20-22-12-4-8-16-26(22)32(2)28-18-10-6-14-24(28)30;/h3-20H,1-2H3,(H,33,34);/q;+1/p-1
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| InChIKey |
ZRKCDXKYDSFZAR-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