General Information of the Compound
| Compound ID |
CP0151000
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| Compound Name |
(S)-2-(3-(Carboxymethyl)ureido)-6-(4-iodobenzamido)hexanoic acid
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| Structure |
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| Formula |
C16H20IN3O6
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| Molecular Weight |
477.255
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| Canonical SMILES |
OC(=O)CNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O
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| InChI |
InChI=1S/C16H20IN3O6/c17-11-6-4-10(5-7-11)14(23)18-8-2-1-3-12(15(24)25)20-16(26)19-9-13(21)22/h4-7,12H,1-3,8-9H2,(H,18,23)(H,21,22)(H,24,25)(H2,19,20,26)/t12-/m0/s1
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| InChIKey |
BFWSDMLXEWCOOL-LBPRGKRZSA-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