General Information of the Compound
| Compound ID |
CP0900111
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| Compound Name |
[125I]-(S)-2-(3-((S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)pentanedioic acid
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| Structure |
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| Formula |
C15H17IN2O8
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| Molecular Weight |
478.2116302
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| Canonical SMILES |
O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)O)C(=O)O
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| InChI |
InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1/i16-2
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| InChIKey |
GUNPTUQXZIVQBT-IVCDYSKGSA-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