General Information of the Compound
| Compound ID |
CP0417364
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| Compound Name |
US8980829, 14
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| Structure |
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| Formula |
C23H28ClNO6
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| Molecular Weight |
449.931
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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(OCC3CNC3)cc2)c1
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| InChI |
InChI=1S/C23H28ClNO6/c24-18-6-3-15(23-22(29)21(28)20(27)19(11-26)31-23)8-16(18)7-13-1-4-17(5-2-13)30-12-14-9-25-10-14/h1-6,8,14,19-23,25-29H,7,9-12H2/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
BHGXASLBRNBSPJ-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2