General Information of the Compound
| Compound ID |
CP0502210
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| Compound Name |
(S)-2-(3-(4-iodobenzyl)ureido)pentanedioic acid
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| Structure |
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| Formula |
C13H15IN2O5
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| Molecular Weight |
406.176
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)NCc1ccc(I)cc1)C(O)=O
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| InChI |
InChI=1S/C13H15IN2O5/c14-9-3-1-8(2-4-9)7-15-13(21)16-10(12(19)20)5-6-11(17)18/h1-4,10H,5-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m0/s1
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| InChIKey |
UKLBULABTCFHQU-JTQLQIEISA-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