General Information of the Compound
| Compound ID |
CP0465285
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| Compound Name |
N-(2-hydroxyethyl)-2-methyl-2-[4-[4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]butanoylamino]propanamide
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| Structure |
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| Formula |
C29H44N4O9
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| Molecular Weight |
592.69
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| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NCCO)cc1
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| InChI |
InChI=1S/C29H44N4O9/c1-16(2)22-19(26(33-32-22)42-27-25(39)24(38)23(37)20(15-35)41-27)14-18-10-8-17(9-11-18)6-5-7-21(36)31-29(3,4)28(40)30-12-13-34/h8-11,16,20,23-25,27,34-35,37-39H,5-7,12-15H2,1-4H3,(H,30,40)(H,31,36)(H,32,33)/t20-,23-,24+,25-,27+/m1/s1
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| InChIKey |
DGVHBNPRVJSTJA-CVMXSPHISA-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