General Information of the Compound
| Compound ID |
CP0957596
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| Compound Name |
2-(((trans)-4-((phenyl(pyridin-2-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C22H26N2O5
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| Molecular Weight |
398.459
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccn2)CC1
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| InChI |
InChI=1S/C22H26N2O5/c25-21(26)16-28-14-17-9-11-18(12-10-17)15-29-22(27)24(19-6-2-1-3-7-19)20-8-4-5-13-23-20/h1-8,13,17-18H,9-12,14-16H2,(H,25,26)/t17-,18-
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| InChIKey |
MJZLKZMMRNQZMR-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