General Information of the Compound
| Compound ID |
CP0563238
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| Compound Name |
(2R,3R,4S)-3-acetamido-4-[[amino-[(2-naphthalen-2-ylsulfanylacetyl)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 |
C24H28N4O8S
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| Molecular Weight |
532.575
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C24H28N4O8S/c1-12(30)26-20-16(9-18(23(34)35)36-22(20)21(33)17(31)10-29)27-24(25)28-19(32)11-37-15-7-6-13-4-2-3-5-14(13)8-15/h2-9,16-17,20-22,29,31,33H,10-11H2,1H3,(H,26,30)(H,34,35)(H3,25,27,28,32)/t16-,17+,20+,21+,22+/m0/s1
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| InChIKey |
FRUHLAJHHRFBLQ-CDMCTNBCSA-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