General Information of the Compound
| Compound ID |
CP0450362
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| Compound Name |
1-(1-adamantyl)-3-[[4-[[1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2,2-dimethylpropyl]amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C27H38F6N3O4P
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| Molecular Weight |
613.58
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| Canonical SMILES |
CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F
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| InChI |
InChI=1S/C27H38F6N3O4P/c1-24(2,3)22(41(38,39-15-26(28,29)30)40-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-23(37)36-25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,22,35H,8-16H2,1-3H3,(H2,34,36,37)
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| InChIKey |
GKWDVROASXZDLJ-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