General Information of the Compound
| Compound ID |
CP0938236
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| Compound Name |
2-(((trans)-4-(((5-methoxypyridin-3-yl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C23H28N2O6
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| Molecular Weight |
428.485
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| Canonical SMILES |
COc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C23H28N2O6/c1-29-21-11-20(12-24-13-21)25(19-5-3-2-4-6-19)23(28)31-15-18-9-7-17(8-10-18)14-30-16-22(26)27/h2-6,11-13,17-18H,7-10,14-16H2,1H3,(H,26,27)/t17-,18-
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| InChIKey |
XJNNTJACXNMPFK-IYARVYRRSA-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