General Information of the Compound
| Compound ID |
CP0450361
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| Compound Name |
N-(1-adamantyl)-3-[4-[(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]phenyl]propanamide
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| Structure |
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| Formula |
C28H45N2O4P
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| Molecular Weight |
504.652
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
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| InChI |
InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)29-24-11-8-20(9-12-24)10-13-25(31)30-28-17-21-14-22(18-28)16-23(15-21)19-28/h8-9,11-12,21-23,26,29H,6-7,10,13-19H2,1-5H3,(H,30,31)
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| InChIKey |
VJCPBIMLOKZOOV-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