General Information of the Compound
| Compound ID |
CP0446389
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| Compound Name |
2-(((1r,4r)-4-(((3- fluorophenyl)(5-methylthiophen- 2-yl)carbamoyloxy)methyl) cyclohexyl)methoxy)acetic acid
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| Formula |
C22H26FNO5S
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| Molecular Weight |
435.517
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| Canonical SMILES |
Cc1ccc(s1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C22H26FNO5S/c1-15-5-10-20(30-15)24(19-4-2-3-18(23)11-19)22(27)29-13-17-8-6-16(7-9-17)12-28-14-21(25)26/h2-5,10-11,16-17H,6-9,12-14H2,1H3,(H,25,26)/t16-,17-
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| InChIKey |
ONIWPUAJNWCHCD-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