General Information of the Compound
| Compound ID |
CP0460343
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| Compound Name |
1-(1-adamantyl)-3-[[4-[(1-dibutoxyphosphoryl-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 |
CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
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| InChI |
InChI=1S/C31H52N3O4P/c1-6-8-14-37-39(36,38-15-9-7-2)28(30(3,4)5)33-27-12-10-23(11-13-27)22-32-29(35)34-31-19-24-16-25(20-31)18-26(17-24)21-31/h10-13,24-26,28,33H,6-9,14-22H2,1-5H3,(H2,32,34,35)
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| InChIKey |
LKYVTIPIJPBCEX-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