General Information of the Compound
| Compound ID |
CP0399063
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| Compound Name |
2-[3-[2-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]carbamoyl]-4-(propanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C29H31FN2O6
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| Molecular Weight |
522.573
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| Canonical SMILES |
CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NC(C)(C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C29H31FN2O6/c1-5-26(33)31-21-11-13-23(38-25-14-19(15-27(34)35)8-12-24(25)37-4)22(16-21)28(36)32-29(2,3)17-18-6-9-20(30)10-7-18/h6-14,16H,5,15,17H2,1-4H3,(H,31,33)(H,32,36)(H,34,35)
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| InChIKey |
OHJRAAKERVBNIK-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