General Information of the Compound
| Compound ID |
CP0551857
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| Compound Name |
1-(1-adamantyl)-3-[[4-[(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C27H44N3O4P
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| Molecular Weight |
505.64
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H44N3O4P/c1-6-33-35(32,34-7-2)24(26(3,4)5)29-23-10-8-19(9-11-23)18-28-25(31)30-27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,24,29H,6-7,12-18H2,1-5H3,(H2,28,30,31)
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| InChIKey |
SSHGMJSYGUJEMO-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