General Information of the Compound
| Compound ID |
CP0188321
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| Compound Name |
4-[4-(2-aminoethylcarbamoyl)phenoxy]adamantane-1-carboxylic acid
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| Structure |
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| Formula |
C20H26N2O4
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| Molecular Weight |
358.438
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| Canonical SMILES |
NCCNC(=O)c1ccc(OC2C3CC4CC2CC(C4)(C3)C(O)=O)cc1
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| InChI |
InChI=1S/C20H26N2O4/c21-5-6-22-18(23)13-1-3-16(4-2-13)26-17-14-7-12-8-15(17)11-20(9-12,10-14)19(24)25/h1-4,12,14-15,17H,5-11,21H2,(H,22,23)(H,24,25)
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| InChIKey |
JDFJNFZFMUBTOW-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