General Information of the Compound
| Compound ID |
CP0415844
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| Compound Name |
N-[[4-[(1-diethoxyphosphoryl-3,3-dimethylbutyl)amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C28H45N2O4P
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| Molecular Weight |
504.652
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| Canonical SMILES |
CCOP(=O)(OCC)C(CC(C)(C)C)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)25(18-27(3,4)5)30-24-10-8-20(9-11-24)19-29-26(31)28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,25,30H,6-7,12-19H2,1-5H3,(H,29,31)
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| InChIKey |
NQRLJLKICALGPK-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