General Information of the Compound
| Compound ID |
CP0526964
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| Compound Name |
3-(4-((1-(4-cyclohexylphenyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C31H32F3N3O5
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| Molecular Weight |
583.607
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(cc2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C31H32F3N3O5/c32-31(33,34)42-27-16-12-25(13-17-27)36-30(41)37(26-14-10-23(11-15-26)22-4-2-1-3-5-22)20-21-6-8-24(9-7-21)29(40)35-19-18-28(38)39/h6-17,22H,1-5,18-20H2,(H,35,40)(H,36,41)(H,38,39)
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| InChIKey |
OUXGIBNDYCJESM-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