General Information of the Compound
| Compound ID |
CP0490301
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[1-(methoxymethyl)cyclopropyl]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H29ClO6
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| Molecular Weight |
448.943
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| Canonical SMILES |
COCC1(CC1)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H29ClO6/c1-30-13-24(8-9-24)17-5-2-14(3-6-17)10-16-11-15(4-7-18(16)25)23-22(29)21(28)20(27)19(12-26)31-23/h2-7,11,19-23,26-29H,8-10,12-13H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
HQZBGEZZCKYCGP-ZQGJOIPISA-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