General Information of the Compound
| Compound ID |
CP0551854
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| Compound Name |
N-[[4-[(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H39N2O4P
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| Molecular Weight |
486.593
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCc3ccccc3C2)cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H39N2O4P/c1-6-32-34(31,33-7-2)26(27(3,4)5)29-24-16-12-20(13-17-24)19-28-25(30)23-15-14-21-10-8-9-11-22(21)18-23/h8-13,16-17,23,26,29H,6-7,14-15,18-19H2,1-5H3,(H,28,30)
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| InChIKey |
WXOJOIKZSGFXBV-UHFFFAOYSA-N
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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