General Information of the Compound
| Compound ID |
CP0573915
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| Compound Name |
(1R,2S,3R,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(difluoromethoxy)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
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| Structure |
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| Formula |
C22H23ClF2O7
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| Molecular Weight |
472.868
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC(F)F)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
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| InChI |
InChI=1S/C22H23ClF2O7/c1-2-29-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)23)22-19(28)17(26)18(27)21(32-22,11-30-22)31-20(24)25/h3-8,10,17-20,26-28H,2,9,11H2,1H3/t17-,18-,19+,21-,22-/m0/s1
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| InChIKey |
KFNBODGMHYCMQN-GVMRPCBKSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2