General Information of the Compound
| Compound ID |
CP0551856
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| Compound Name |
1-(1-adamantyl)-3-[[4-[[1-di(propan-2-yloxy)phosphoryl-2,2-dimethylpropyl]amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C29H48N3O4P
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| Molecular Weight |
533.694
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| Canonical SMILES |
CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H48N3O4P/c1-19(2)35-37(34,36-20(3)4)26(28(5,6)7)31-25-10-8-21(9-11-25)18-30-27(33)32-29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,26,31H,12-18H2,1-7H3,(H2,30,32,33)
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| InChIKey |
MMTHPMZOCYZJLE-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