General Information of the Compound
| Compound ID |
CP0443390
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| Compound Name |
1-(1-adamantyl)-3-[[4-[[1-[bis(2-methylpropoxy)phosphoryl]-2,2-dimethylpropyl]amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C31H52N3O4P
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| Molecular Weight |
561.748
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| Canonical SMILES |
CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
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| InChI |
InChI=1S/C31H52N3O4P/c1-21(2)19-37-39(36,38-20-22(3)4)28(30(5,6)7)33-27-10-8-23(9-11-27)18-32-29(35)34-31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,28,33H,12-20H2,1-7H3,(H2,32,34,35)
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| InChIKey |
WZFANDZSVAHWIM-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