General Information of the Compound
| Compound ID |
CP0459754
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| Compound Name |
1-(4-((3-methoxypropyl)carbamoyl)benzyl)-1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C30H40F3N3O4
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| Molecular Weight |
563.661
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| Canonical SMILES |
COCCCNC(=O)c1ccc(CN(C2CCC(CC2)C(C)(C)C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C30H40F3N3O4/c1-29(2,3)23-10-14-25(15-11-23)36(28(38)35-24-12-16-26(17-13-24)40-30(31,32)33)20-21-6-8-22(9-7-21)27(37)34-18-5-19-39-4/h6-9,12-13,16-17,23,25H,5,10-11,14-15,18-20H2,1-4H3,(H,34,37)(H,35,38)
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| InChIKey |
BOXCRNFUJMJIHD-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