General Information of the Compound
| Compound ID |
CP0938231
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| Compound Name |
2-(((trans)-4-((3-(4-chloro-3-fluorophenyl)-3-phenylureido)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C23H26ClFN2O4
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| Molecular Weight |
448.922
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C23H26ClFN2O4/c24-20-11-10-19(12-21(20)25)27(18-4-2-1-3-5-18)23(30)26-13-16-6-8-17(9-7-16)14-31-15-22(28)29/h1-5,10-12,16-17H,6-9,13-15H2,(H,26,30)(H,28,29)/t16-,17-
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| InChIKey |
UWOQFCDLJUCQRY-QAQDUYKDSA-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