General Information of the Compound
| Compound ID |
CP0914427
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| Compound Name |
2-(((trans)-4-(((4-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(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)s1
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| InChI |
InChI=1S/C22H26FNO5S/c1-15-2-11-20(30-15)24(19-9-7-18(23)8-10-19)22(27)29-13-17-5-3-16(4-6-17)12-28-14-21(25)26/h2,7-11,16-17H,3-6,12-14H2,1H3,(H,25,26)/t16-,17-
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| InChIKey |
WVZXMIGNODHKJW-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