General Information of the Compound
| Compound ID |
CP0412555
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| Compound Name |
N-[[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C27H28ClNO6
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| Molecular Weight |
497.975
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(CNC(=O)c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C27H28ClNO6/c28-21-11-10-19(26-25(33)24(32)23(31)22(15-30)35-26)13-20(21)12-16-6-8-17(9-7-16)14-29-27(34)18-4-2-1-3-5-18/h1-11,13,22-26,30-33H,12,14-15H2,(H,29,34)/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
QSKUATRNLZGPFZ-RTJMFUJLSA-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