General Information of the Compound
| Compound ID |
CP0941921
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| Compound Name |
2-(((trans)-4-(((3-fluorophenyl)(m-tolyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C24H28FNO5
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| Molecular Weight |
429.488
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| Canonical SMILES |
Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1
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| InChI |
InChI=1S/C24H28FNO5/c1-17-4-2-6-21(12-17)26(22-7-3-5-20(25)13-22)24(29)31-15-19-10-8-18(9-11-19)14-30-16-23(27)28/h2-7,12-13,18-19H,8-11,14-16H2,1H3,(H,27,28)/t18-,19-
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| InChIKey |
JLIKIUGJKYAFKT-WGSAOQKQSA-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