General Information of the Compound
| Compound ID |
CP0502727
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| Compound Name |
1-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzoyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C32H40F3N3O5
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| Molecular Weight |
603.682
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)N1CCCC(C1)C(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H40F3N3O5/c1-31(2,3)24-10-14-26(15-11-24)38(30(42)36-25-12-16-27(17-13-25)43-32(33,34)35)19-21-6-8-22(9-7-21)28(39)37-18-4-5-23(20-37)29(40)41/h6-9,12-13,16-17,23-24,26H,4-5,10-11,14-15,18-20H2,1-3H3,(H,36,42)(H,40,41)
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| InChIKey |
GFRYMNYDKDZMHR-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