General Information of the Compound
| Compound ID |
CP0566702
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| Compound Name |
(2R,3R,4S)-3-acetamido-4-[[amino-[[2-[4-(4-methylphenyl)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 |
C23H29N7O8
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| Molecular Weight |
531.526
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C23H29N7O8/c1-11-3-5-13(6-4-11)15-8-30(29-28-15)9-18(34)27-23(24)26-14-7-17(22(36)37)38-21(19(14)25-12(2)32)20(35)16(33)10-31/h3-8,14,16,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21+/m0/s1
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| InChIKey |
ZNYUNRIYIITXEZ-GGPQYSQQSA-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