General Information of the Compound
| Compound ID |
CP0440113
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| Compound Name |
N-(2-hydroxyethyl)-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]butanamide
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| Structure |
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| Formula |
C25H37N3O8
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| Molecular Weight |
507.584
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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)NCCO)cc1
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| InChI |
InChI=1S/C25H37N3O8/c1-14(2)20-17(12-16-8-6-15(7-9-16)4-3-5-19(31)26-10-11-29)24(28-27-20)36-25-23(34)22(33)21(32)18(13-30)35-25/h6-9,14,18,21-23,25,29-30,32-34H,3-5,10-13H2,1-2H3,(H,26,31)(H,27,28)/t18-,21-,22+,23-,25+/m1/s1
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| InChIKey |
CKQZXLYVUHIJSZ-FLYQRFDZSA-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