General Information of the Compound
| Compound ID |
CP0492112
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| Compound Name |
US9688710, 127 N-(2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropyl)-4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenyl)butanamide
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| Structure |
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| Formula |
C34H49N3O6S
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| Molecular Weight |
627.848
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| Canonical SMILES |
CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
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| InChI |
InChI=1S/C34H49N3O6S/c1-22-9-14-25(31-29(40)28(39)30(41)32(43-31)44-5)20-26(22)19-24-12-10-23(11-13-24)7-6-8-27(38)35-21-34(2,3)33(42)37-17-15-36(4)16-18-37/h9-14,20,28-32,39-41H,6-8,15-19,21H2,1-5H3,(H,35,38)/t28-,29-,30+,31+,32-/m1/s1
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| InChIKey |
XVKAYPJUNZEKHF-DSSMMGBBSA-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