General Information of the Compound
| Compound ID |
CP0381152
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| Compound Name |
2-(4-Hydroxy-3-iodophenyl)-2-(3-((S)-1-isopropoxy-4-methyl-1-oxopentan-2-yl)ureido)acetic acid
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| Structure |
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| Formula |
C18H25IN2O6
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| Molecular Weight |
492.31
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC(C(O)=O)c1ccc(O)c(I)c1)C(=O)OC(C)C
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| InChI |
InChI=1S/C18H25IN2O6/c1-9(2)7-13(17(25)27-10(3)4)20-18(26)21-15(16(23)24)11-5-6-14(22)12(19)8-11/h5-6,8-10,13,15,22H,7H2,1-4H3,(H,23,24)(H2,20,21,26)/t13-,15?/m0/s1
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| InChIKey |
UKLPNWBKDWKCMC-CFMCSPIPSA-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