General Information of the Compound
| Compound ID |
CP0960105
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| Compound Name |
2-(((trans)-4-((phenyl(pyrazin-2-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C21H25N3O5
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| Molecular Weight |
399.447
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cnccn2)CC1
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| InChI |
InChI=1S/C21H25N3O5/c25-20(26)15-28-13-16-6-8-17(9-7-16)14-29-21(27)24(18-4-2-1-3-5-18)19-12-22-10-11-23-19/h1-5,10-12,16-17H,6-9,13-15H2,(H,25,26)/t16-,17-
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| InChIKey |
VFDUQLQHCOEQQO-QAQDUYKDSA-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