General Information of the Compound
| Compound ID |
CP0477383
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| Compound Name |
N-[(E)-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylideneamino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C27H28ClN3O6
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| Molecular Weight |
525.989
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(=O)c3ccncc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C27H28ClN3O6/c1-2-36-20-6-3-16(4-7-20)13-19-14-18(5-8-21(19)28)26-25(34)24(33)23(32)22(37-26)15-30-31-27(35)17-9-11-29-12-10-17/h3-12,14-15,22-26,32-34H,2,13H2,1H3,(H,31,35)/b30-15+/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
LUUUUJRVTYPOJF-SUJQQOFHSA-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