General Information of the Compound
| Compound ID |
CP0386530
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| Compound Name |
3-(4-((1-(4,4-dipropylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C31H40F3N3O5
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| Molecular Weight |
591.671
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| Canonical SMILES |
CCCC1(CCC)CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H40F3N3O5/c1-3-16-30(17-4-2)18-13-25(14-19-30)37(29(41)36-24-9-11-26(12-10-24)42-31(32,33)34)21-22-5-7-23(8-6-22)28(40)35-20-15-27(38)39/h5-12,25H,3-4,13-21H2,1-2H3,(H,35,40)(H,36,41)(H,38,39)
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| InChIKey |
ZFFKKWLNDAMPGZ-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