General Information of the Compound
| Compound ID |
CP0378883
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| Compound Name |
3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C25H27NO4/c27-23(26-21-3-1-2-19(11-21)24(28)29)15-30-22-6-4-20(5-7-22)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2,(H,26,27)(H,28,29)
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| InChIKey |
LLPHJJUTLVBKGR-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