General Information of the Compound
| Compound ID |
CP0431558
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| Compound Name |
N-[[4-[[diethoxyphosphoryl-(4-methylphenyl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C30H41N2O4P
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| Molecular Weight |
524.642
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H41N2O4P/c1-4-35-37(34,36-5-2)28(26-10-6-21(3)7-11-26)32-27-12-8-22(9-13-27)20-31-29(33)30-17-23-14-24(18-30)16-25(15-23)19-30/h6-13,23-25,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
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| InChIKey |
DLBJSEPSJOFFAY-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