General Information of the Compound
| Compound ID |
CP0515604
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| Compound Name |
2-[3-[4-(2-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1ccccc1O
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| InChI |
InChI=1S/C22H23NO4/c24-20-8-4-2-5-17(20)16-12-9-15(10-13-16)11-14-21(25)23-19-7-3-1-6-18(19)22(26)27/h2,4-5,8-10,12-13,24H,1,3,6-7,11,14H2,(H,23,25)(H,26,27)
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| InChIKey |
PJNHKVJGOPOFAP-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