General Information of the Compound
| Compound ID |
CP0374724
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| Compound Name |
N-[[4-[(1-diethoxyphosphoryl-2-oxo-2-phenylethyl)amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C30H39N2O5P
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| Molecular Weight |
538.625
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H39N2O5P/c1-3-36-38(35,37-4-2)28(27(33)25-8-6-5-7-9-25)32-26-12-10-21(11-13-26)20-31-29(34)30-17-22-14-23(18-30)16-24(15-22)19-30/h5-13,22-24,28,32H,3-4,14-20H2,1-2H3,(H,31,34)
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| InChIKey |
AEFMOQSDICPVTE-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