General Information of the Compound
| Compound ID |
CP0561441
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| Compound Name |
(3R,4S)-3-acetamido-4-[[amino-[3-(4-phenyltriazol-1-yl)propanoylamino]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)CCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C23H29N7O8/c1-12(32)25-19-14(9-17(22(36)37)38-21(19)20(35)16(33)11-31)26-23(24)27-18(34)7-8-30-10-15(28-29-30)13-5-3-2-4-6-13/h2-6,9-10,14,16,19-21,31,33,35H,7-8,11H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21?/m0/s1
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| InChIKey |
PZFKGKBFTVLVOP-PIEVHNJWSA-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