General Information of the Compound
| Compound ID |
CP0951944
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| Compound Name |
2-(((trans)-4-(((4-fluorophenyl)(m-tolyl)carbamoyloxy)methyl)cydohexyl)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)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C24H28FNO5/c1-17-3-2-4-22(13-17)26(21-11-9-20(25)10-12-21)24(29)31-15-19-7-5-18(6-8-19)14-30-16-23(27)28/h2-4,9-13,18-19H,5-8,14-16H2,1H3,(H,27,28)/t18-,19-
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| InChIKey |
VLGJYMSNGMGDEV-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