General Information of the Compound
| Compound ID |
CP0523167
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| Compound Name |
3-{4-[1-(4-propylcyclohexyl)-3-(4-trifluoromethoxyphenyl)ureidomethyl]benzoylamino}propionic acid
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| Structure |
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| Formula |
C28H34F3N3O5
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| Molecular Weight |
549.59
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| Canonical SMILES |
CCCC1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H34F3N3O5/c1-2-3-19-6-12-23(13-7-19)34(27(38)33-22-10-14-24(15-11-22)39-28(29,30)31)18-20-4-8-21(9-5-20)26(37)32-17-16-25(35)36/h4-5,8-11,14-15,19,23H,2-3,6-7,12-13,16-18H2,1H3,(H,32,37)(H,33,38)(H,35,36)
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| InChIKey |
FTYSYSFLUFOSSA-UHFFFAOYSA-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