General Information of the Compound
| Compound ID |
CP0921886
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| Compound Name |
2-(((trans)-4-(((3-fluorophenyl)(6-fluoropyridin-3-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C22H24F2N2O5
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| Molecular Weight |
434.439
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)nc2)c2cccc(F)c2)CC1
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| InChI |
InChI=1S/C22H24F2N2O5/c23-17-2-1-3-18(10-17)26(19-8-9-20(24)25-11-19)22(29)31-13-16-6-4-15(5-7-16)12-30-14-21(27)28/h1-3,8-11,15-16H,4-7,12-14H2,(H,27,28)/t15-,16-
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| InChIKey |
MYJVQBFENXKLDD-WKILWMFISA-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