General Information of the Compound
| Compound ID |
CP0875127
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| Compound Name |
2-(((trans)-4-(((4-ethoxyphenyl)(3-fluorophenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C25H30FNO6
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| Molecular Weight |
459.514
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| Canonical SMILES |
CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1
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| InChI |
InChI=1S/C25H30FNO6/c1-2-32-23-12-10-21(11-13-23)27(22-5-3-4-20(26)14-22)25(30)33-16-19-8-6-18(7-9-19)15-31-17-24(28)29/h3-5,10-14,18-19H,2,6-9,15-17H2,1H3,(H,28,29)/t18-,19-
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| InChIKey |
ZCBHEQWCBIRSQH-WGSAOQKQSA-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