General Information of the Compound
| Compound ID |
CP0468285
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| Compound Name |
2-[4-[3-(4-fluorophenoxy)-5-[(3-hydroxy-3-propan-2-ylpyrrolidine-1-carbonyl)amino]phenoxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C30H33FN2O6
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| Molecular Weight |
536.6
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| Canonical SMILES |
CC(C)C1(O)CCN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
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| InChI |
InChI=1S/C30H33FN2O6/c1-19(2)30(37)13-14-33(18-30)28(36)32-22-15-25(17-26(16-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-12,15-17,19,37H,13-14,18H2,1-4H3,(H,32,36)(H,34,35)
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| InChIKey |
DJIXMLDGVRLHIK-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