General Information of the Compound
| Compound ID |
CP0942340
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| Compound Name |
2-(((trans)-4-(((3-fluorophenyl)(3-methoxyphenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C24H28FNO6
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| Molecular Weight |
445.487
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| Canonical SMILES |
COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1
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| InChI |
InChI=1S/C24H28FNO6/c1-30-22-7-3-6-21(13-22)26(20-5-2-4-19(25)12-20)24(29)32-15-18-10-8-17(9-11-18)14-31-16-23(27)28/h2-7,12-13,17-18H,8-11,14-16H2,1H3,(H,27,28)/t17-,18-
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| InChIKey |
XNVRPYIZWKXXTL-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