General Information of the Compound
| Compound ID |
CP0524168
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| Compound Name |
(9S,13S)-1-(3-iodophenyl)-3,11-dioxo-2,4,10,12-tetraazapentadecane-9,13,15-tricarboxylic Acid
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| Structure |
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| Formula |
C20H27IN4O8
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| Molecular Weight |
578.36
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1cccc(I)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C20H27IN4O8/c21-13-5-3-4-12(10-13)11-23-19(32)22-9-2-1-6-14(17(28)29)24-20(33)25-15(18(30)31)7-8-16(26)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,26,27)(H,28,29)(H,30,31)(H2,22,23,32)(H2,24,25,33)/t14-,15-/m0/s1
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| InChIKey |
JUBJIZWZJOLMOS-GJZGRUSLSA-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