General Information of the Compound
| Compound ID |
CP0938235
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| Compound Name |
2-(((trans)-4-(((4-ethoxyphenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C25H31NO6
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| Molecular Weight |
441.524
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| Canonical SMILES |
CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H31NO6/c1-2-31-23-14-12-22(13-15-23)26(21-6-4-3-5-7-21)25(29)32-17-20-10-8-19(9-11-20)16-30-18-24(27)28/h3-7,12-15,19-20H,2,8-11,16-18H2,1H3,(H,27,28)/t19-,20-
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| InChIKey |
JRDHHTZKJQYLFN-MXVIHJGJSA-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