General Information of the Compound
| Compound ID |
CP0543523
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| Compound Name |
sodium;bis[(2E)-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl] phosphate
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| Structure |
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| Formula |
C32H26NaO4P
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| Molecular Weight |
528.52
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| Canonical SMILES |
[Na+].[O-]P(=O)(O\C1=C\c2ccccc2CCc2ccccc12)O\C1=C\c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C32H27O4P.Na/c33-37(34,35-31-21-27-13-3-1-9-23(27)17-19-25-11-5-7-15-29(25)31)36-32-22-28-14-4-2-10-24(28)18-20-26-12-6-8-16-30(26)32;/h1-16,21-22H,17-20H2,(H,33,34);/q;+1/p-1/b31-21+,32-22+;
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| InChIKey |
XWYICCLMCCIPCU-XGUYBVJSSA-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