General Information of the Compound
| Compound ID |
CP0454374
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| Compound Name |
2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C28H31ClFNO4
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| Molecular Weight |
500.01
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| Canonical SMILES |
C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1
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| InChIKey |
SXIGLKXOASKLJP-XMSQKQJNSA-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