General Information of the Compound
| Compound ID |
CP0391572
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| Compound Name |
(2S)-2-[[(1S)-5-[[2-[5-(aminomethyl)-4-iodotriazol-1-yl]acetyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
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| Structure |
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| Formula |
C17H26IN7O8
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| Molecular Weight |
583.34
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| Canonical SMILES |
NCc1c(I)nnn1CC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C17H26IN7O8/c18-14-11(7-19)25(24-23-14)8-12(26)20-6-2-1-3-9(15(29)30)21-17(33)22-10(16(31)32)4-5-13(27)28/h9-10H,1-8,19H2,(H,20,26)(H,27,28)(H,29,30)(H,31,32)(H2,21,22,33)/t9-,10-/m0/s1
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| InChIKey |
AMTIHUMEZOADDV-UWVGGRQHSA-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