General Information of the Compound
Compound ID |
CP0450364
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Compound Name |
N-[[4-[[cyclopropyl(diethoxyphosphoryl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
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Structure |
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Formula |
C26H39N2O4P
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Molecular Weight |
474.582
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Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CC1
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InChI |
InChI=1S/C26H39N2O4P/c1-3-31-33(30,32-4-2)24(22-7-8-22)28-23-9-5-18(6-10-23)17-27-25(29)26-14-19-11-20(15-26)13-21(12-19)16-26/h5-6,9-10,19-22,24,28H,3-4,7-8,11-17H2,1-2H3,(H,27,29)
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InChIKey |
IGUPLVHKSBMYFU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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