General Information of the Compound
| Compound ID |
CP0538462
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| Compound Name |
3-(4-((1-(4-methoxycyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C26H30F3N3O6
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| Molecular Weight |
537.535
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| Canonical SMILES |
COC1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H30F3N3O6/c1-37-21-12-8-20(9-13-21)32(25(36)31-19-6-10-22(11-7-19)38-26(27,28)29)16-17-2-4-18(5-3-17)24(35)30-15-14-23(33)34/h2-7,10-11,20-21H,8-9,12-16H2,1H3,(H,30,35)(H,31,36)(H,33,34)
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| InChIKey |
WYIGRWUSIPANJN-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