General Information of the Compound
| Compound ID |
CP0374793
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| Compound Name |
N-[[4-(1-diethoxyphosphorylbutylamino)phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C26H41N2O4P
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| Molecular Weight |
476.598
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| Canonical SMILES |
CCCC(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC)OCC
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| InChI |
InChI=1S/C26H41N2O4P/c1-4-7-24(33(30,31-5-2)32-6-3)28-23-10-8-19(9-11-23)18-27-25(29)26-15-20-12-21(16-26)14-22(13-20)17-26/h8-11,20-22,24,28H,4-7,12-18H2,1-3H3,(H,27,29)
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| InChIKey |
XBYMLVRIDQSHCE-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