General Information of the Compound
| Compound ID |
CP0459753
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| Compound Name |
4-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)butanoic acid
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| Structure |
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| Formula |
C30H38F3N3O5
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| Molecular Weight |
577.644
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H38F3N3O5/c1-29(2,3)22-10-14-24(15-11-22)36(28(40)35-23-12-16-25(17-13-23)41-30(31,32)33)19-20-6-8-21(9-7-20)27(39)34-18-4-5-26(37)38/h6-9,12-13,16-17,22,24H,4-5,10-11,14-15,18-19H2,1-3H3,(H,34,39)(H,35,40)(H,37,38)
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| InChIKey |
ZILLEVKEFYJMRU-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