General Information of the Compound
| Compound ID |
CP0504047
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| Compound Name |
(2R,3R,4S)-3-acetamido-4-[[amino-[[2-[4-(2-methoxyphenyl)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 |
C23H29N7O9
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| Molecular Weight |
547.525
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| Canonical SMILES |
COc1ccccc1-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/C23H29N7O9/c1-11(32)25-19-13(7-17(22(36)37)39-21(19)20(35)15(33)10-31)26-23(24)27-18(34)9-30-8-14(28-29-30)12-5-3-4-6-16(12)38-2/h3-8,13,15,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,19+,20+,21+/m0/s1
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| InChIKey |
SLPOOJAHWGSHRU-FVFARJRBSA-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