General Information of the Compound
| Compound ID |
CP0859362
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| Compound Name |
(2S)-[4-(Benzyloxy)phenyl]({[6-(4-chlorophenyl)-3-methyl-1-benzofuran-2-yl]carbonyl}amino)acetic acid
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| Structure |
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| Formula |
C31H24ClNO5
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| Molecular Weight |
525.988
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| Canonical SMILES |
Cc1c(C(=O)N[C@H](C(=O)O)c2ccc(OCc3ccccc3)cc2)oc2cc(-c3ccc(Cl)cc3)ccc12
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| InChI |
InChI=1S/C31H24ClNO5/c1-19-26-16-11-23(21-7-12-24(32)13-8-21)17-27(26)38-29(19)30(34)33-28(31(35)36)22-9-14-25(15-10-22)37-18-20-5-3-2-4-6-20/h2-17,28H,18H2,1H3,(H,33,34)(H,35,36)/t28-/m0/s1
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| InChIKey |
BDVDNRTWNCJRSH-NDEPHWFRSA-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