General Information of the Compound
| Compound ID |
CP0518066
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| Compound Name |
3-(4-((1-(4-(diethylcarbamoyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C30H37F3N4O6
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| Molecular Weight |
606.642
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| Canonical SMILES |
CCN(CC)C(=O)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H37F3N4O6/c1-3-36(4-2)28(41)22-9-13-24(14-10-22)37(29(42)35-23-11-15-25(16-12-23)43-30(31,32)33)19-20-5-7-21(8-6-20)27(40)34-18-17-26(38)39/h5-8,11-12,15-16,22,24H,3-4,9-10,13-14,17-19H2,1-2H3,(H,34,40)(H,35,42)(H,38,39)
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| InChIKey |
AEYGSVAIGHARQY-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