General Information of the Compound
| Compound ID |
CP0455483
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| Compound Name |
1-(2-adamantyl)-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]urea
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C26H33N3O2/c1-26(2,3)20-7-4-5-9-22(20)31-24-21(8-6-10-27-24)28-25(30)29-23-18-12-16-11-17(14-18)15-19(23)13-16/h4-10,16-19,23H,11-15H2,1-3H3,(H2,28,29,30)
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| InChIKey |
CYVHAOPTLCJJJL-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