General Information of the Compound
| Compound ID |
CP0191197
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| Compound Name |
(2R)-2-[2-chloro-5-[[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxobenzimidazol-1-yl]methyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C25H20ClN3O6
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| Molecular Weight |
493.903
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| Canonical SMILES |
COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
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| InChI |
InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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| InChIKey |
TVJLRPRXHKJIFM-CQSZACIVSA-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