General Information of the Compound
| Compound ID |
CP0534781
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| Compound Name |
(2R,3R,4S)-3-acetamido-4-[[amino-[[2-[4-(6-methoxynaphthalen-2-yl)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 |
C27H31N7O9
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| Molecular Weight |
597.585
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-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/C27H31N7O9/c1-13(36)29-23-18(9-21(26(40)41)43-25(23)24(39)20(37)12-35)30-27(28)31-22(38)11-34-10-19(32-33-34)16-4-3-15-8-17(42-2)6-5-14(15)7-16/h3-10,18,20,23-25,35,37,39H,11-12H2,1-2H3,(H,29,36)(H,40,41)(H3,28,30,31,38)/t18-,20+,23+,24+,25+/m0/s1
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| InChIKey |
NEJIJJLBRHDLRF-DWIRUQBJSA-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