General Information of the Compound
| Compound ID |
CP0375602
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| Compound Name |
(S)-2-(3,5-dibromo-4-hydroxyphenyl)-2-(3-((S)-1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)acetic acid
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| Structure |
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| Formula |
C16H20Br2N2O6
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| Molecular Weight |
496.152
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| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1cc(Br)c(O)c(Br)c1
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| InChI |
InChI=1S/C16H20Br2N2O6/c1-7(2)4-11(15(24)26-3)19-16(25)20-12(14(22)23)8-5-9(17)13(21)10(18)6-8/h5-7,11-12,21H,4H2,1-3H3,(H,22,23)(H2,19,20,25)/t11-,12?/m0/s1
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| InChIKey |
DERGPJYUTVHDMK-PXYINDEMSA-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