General Information of the Compound
| Compound ID |
CP0404599
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| Compound Name |
2-(4-((3-(2,4-dichlorophenylcarbamoyl)pyrrolidin-1-yl)methyl)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C21H22Cl2N2O4
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| Molecular Weight |
437.323
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| Canonical SMILES |
Cc1cc(CN2CCC(C2)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C21H22Cl2N2O4/c1-13-8-14(2-5-19(13)29-12-20(26)27)10-25-7-6-15(11-25)21(28)24-18-4-3-16(22)9-17(18)23/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,24,28)(H,26,27)
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| InChIKey |
NQYTVFWRKWTMJR-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