General Information of the Compound
| Compound ID |
CP0464233
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| Compound Name |
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-5-(methoxycarbonylamino)benzoic acid
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| Structure |
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| Formula |
C27H23ClN2O5
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| Molecular Weight |
490.943
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| Canonical SMILES |
COC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C27H23ClN2O5/c1-17-8-10-24(23-14-20(28)9-11-25(23)35-16-18-6-4-3-5-7-18)30(17)22-13-19(26(31)32)12-21(15-22)29-27(33)34-2/h3-15H,16H2,1-2H3,(H,29,33)(H,31,32)
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| InChIKey |
PFCPZEOOHAVZRC-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