General Information of the Compound
| Compound ID |
CP0271840
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| Compound Name |
(S)-2-(2-amino-3-(4'-hydroxybiphenyl-4-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C22H20N2O4
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| Molecular Weight |
376.412
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
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| InChI |
InChI=1S/C22H20N2O4/c23-19(21(26)24-20-4-2-1-3-18(20)22(27)28)13-14-5-7-15(8-6-14)16-9-11-17(25)12-10-16/h1-12,19,25H,13,23H2,(H,24,26)(H,27,28)/t19-/m0/s1
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| InChIKey |
OJPOKJHIBDWWNX-IBGZPJMESA-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