General Information of the Compound
| Compound ID |
CP0415846
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| Compound Name |
N-[[4-[[diethoxyphosphoryl(pyridin-4-yl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C28H38N3O4P
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| Molecular Weight |
511.603
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1
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| InChI |
InChI=1S/C28H38N3O4P/c1-3-34-36(33,35-4-2)26(24-9-11-29-12-10-24)31-25-7-5-20(6-8-25)19-30-27(32)28-16-21-13-22(17-28)15-23(14-21)18-28/h5-12,21-23,26,31H,3-4,13-19H2,1-2H3,(H,30,32)
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| InChIKey |
ACHRCXPGUGQNPQ-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