General Information of the Compound
| Compound ID |
CP0434580
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| Compound Name |
(S)-2-(3-((S)-1-Carboxy-5-(4-iodophenylsulfonamido)pentyl)-ureido)pentanedioic Acid
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| Structure |
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| Formula |
C18H24IN3O9S
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| Molecular Weight |
585.373
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H24IN3O9S/c19-11-4-6-12(7-5-11)32(30,31)20-10-2-1-3-13(16(25)26)21-18(29)22-14(17(27)28)8-9-15(23)24/h4-7,13-14,20H,1-3,8-10H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t13-,14-/m0/s1
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| InChIKey |
XWPOVOJVJRQFGE-KBPBESRZSA-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