General Information of the Compound
| Compound ID |
CP0484236
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| Compound Name |
N-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)-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 |
C31H47N5O8
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| Molecular Weight |
617.744
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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)N2CCNCC2)cc1
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| InChI |
InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1
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| InChIKey |
XLGGPHXVLBTVEQ-GPXXLQEOSA-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