General Information of the Compound
| Compound ID |
CP0428128
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| Compound Name |
1-(4-((3-amino-3-oxopropyl)carbamoyl)benzyl)-1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C29H37F3N4O4
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| Molecular Weight |
562.633
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(N)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H37F3N4O4/c1-28(2,3)21-8-12-23(13-9-21)36(27(39)35-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)34-17-16-25(33)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H2,33,37)(H,34,38)(H,35,39)
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| InChIKey |
KOEWXNWHBMMBBE-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