General Information of the Compound
| Compound ID |
CP0472417
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| Compound Name |
US8980829, 19
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| Structure |
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| Formula |
C29H31ClFNO6
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| Molecular Weight |
544.019
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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(OCC3CN(C3)c3ccc(F)cc3)cc2)c1
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| InChI |
InChI=1S/C29H31ClFNO6/c30-24-10-3-19(29-28(36)27(35)26(34)25(15-33)38-29)12-20(24)11-17-1-8-23(9-2-17)37-16-18-13-32(14-18)22-6-4-21(31)5-7-22/h1-10,12,18,25-29,33-36H,11,13-16H2/t25-,26-,27+,28-,29+/m1/s1
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| InChIKey |
ODDVSPVKEFCORY-RQKPWJHBSA-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