General Information of the Compound
| Compound ID |
CP0518065
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| Compound Name |
1-(4-((2-(hydroxyamino)-2-oxoethyl)carbamoyl)benzyl)-1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C28H35F3N4O5
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| Molecular Weight |
564.605
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCC(=O)NO)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H35F3N4O5/c1-27(2,3)20-8-12-22(13-9-20)35(26(38)33-21-10-14-23(15-11-21)40-28(29,30)31)17-18-4-6-19(7-5-18)25(37)32-16-24(36)34-39/h4-7,10-11,14-15,20,22,39H,8-9,12-13,16-17H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)
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| InChIKey |
QZOBKJVXBJAOSP-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