General Information of the Compound
| Compound ID |
CP0470456
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| Compound Name |
2-(3-(1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C16H21IN2O6
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| Molecular Weight |
464.256
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H21IN2O6/c1-8(2)5-11(14(21)22)18-16(25)19-12(15(23)24)7-9-3-4-13(20)10(17)6-9/h3-4,6,8,11-12,20H,5,7H2,1-2H3,(H,21,22)(H,23,24)(H2,18,19,25)/t11-,12-/m0/s1
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| InChIKey |
XZRCMEYKRXIALC-RYUDHWBXSA-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