General Information of the Compound
| Compound ID |
CP0434249
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| Compound Name |
N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-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 |
C32H49N5O8
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| Molecular Weight |
631.771
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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)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C32H49N5O8/c1-19(2)25-22(29(35-34-25)45-30-28(42)27(41)26(40)23(18-38)44-30)17-21-11-9-20(10-12-21)7-6-8-24(39)33-32(3,4)31(43)37-15-13-36(5)14-16-37/h9-12,19,23,26-28,30,38,40-42H,6-8,13-18H2,1-5H3,(H,33,39)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1
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| InChIKey |
ZTHUHHPGJARBOR-RHBSMATHSA-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