General Information of the Compound
| Compound ID |
CP0519279
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| Compound Name |
(2R,3R,4S)-3-acetamido-4-[[amino-[[2-[4-(3-ethoxycarbonylphenyl)triazol-1-yl]acetyl]amino]methylidene]amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C25H31N7O10
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| Molecular Weight |
589.562
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1cn(CC(=O)NC(=N)N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)nn1
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| InChI |
InChI=1S/C25H31N7O10/c1-3-41-24(40)14-6-4-5-13(7-14)16-9-32(31-30-16)10-19(36)29-25(26)28-15-8-18(23(38)39)42-22(20(15)27-12(2)34)21(37)17(35)11-33/h4-9,15,17,20-22,33,35,37H,3,10-11H2,1-2H3,(H,27,34)(H,38,39)(H3,26,28,29,36)/t15-,17+,20+,21+,22+/m0/s1
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| InChIKey |
CBTRKZBQJJGMEX-KDAIUHROSA-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