General Information of the Compound
| Compound ID |
CP0431758
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| Compound Name |
4-chloro-N-[(E)-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylideneamino]benzamide
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| Structure |
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| Formula |
C28H28Cl2N2O6
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| Molecular Weight |
559.446
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(=O)c3ccc(Cl)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C28H28Cl2N2O6/c1-2-37-21-10-3-16(4-11-21)13-19-14-18(7-12-22(19)30)27-26(35)25(34)24(33)23(38-27)15-31-32-28(36)17-5-8-20(29)9-6-17/h3-12,14-15,23-27,33-35H,2,13H2,1H3,(H,32,36)/b31-15+/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
OEHVHHQVHKQJSM-TXUNDIFXSA-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