General Information of the Compound
| Compound ID |
CP0420229
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| Compound Name |
US8980829, 26
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| Structure |
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| Formula |
C25H32ClNO7
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| Molecular Weight |
493.984
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| Canonical SMILES |
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OCC3CNC3)cc2Cl)cc1
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| InChI |
InChI=1S/C25H32ClNO7/c1-2-32-17-5-3-14(4-6-17)7-16-8-18(20(9-19(16)26)33-13-15-10-27-11-15)25-24(31)23(30)22(29)21(12-28)34-25/h3-6,8-9,15,21-25,27-31H,2,7,10-13H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
UTDBAYORDQIJGX-RXFVIIJJSA-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