General Information of the Compound
| Compound ID |
CP0451102
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(4-aminobenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C18H23N3O8
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| Molecular Weight |
409.395
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(N)cc1)C(O)=O
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| InChI |
InChI=1S/C18H23N3O8/c1-8(22)21-14-11(23)6-13(18(27)28)29-16(14)15(25)12(24)7-20-17(26)9-2-4-10(19)5-3-9/h2-6,11-12,14-16,23-25H,7,19H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1
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| InChIKey |
UZCSUOHIFZYFTP-OVJXPFRRSA-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