General Information of the Compound
| Compound ID |
CP0848862
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| Compound Name |
(3S,3aS)-5-tert-butyl 3a-ethyl 1-(3,4-dimethoxyphenethyl)-3-(2-(naphthalen-1-ylmethylamino)-2-oxoethyl)-2-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-c]pyridine-3a,5(6H)-dicarboxylate
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| Structure |
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| Formula |
C38H45N3O8
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| Molecular Weight |
671.791
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| Canonical SMILES |
CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12
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| InChI |
InChI=1S/C38H45N3O8/c1-7-48-35(44)38-24-40(36(45)49-37(2,3)4)19-18-32(38)41(20-17-25-15-16-30(46-5)31(21-25)47-6)34(43)29(38)22-33(42)39-23-27-13-10-12-26-11-8-9-14-28(26)27/h8-16,18,21,29H,7,17,19-20,22-24H2,1-6H3,(H,39,42)/t29-,38-/m1/s1
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| InChIKey |
AKAGJIKOKUUPPN-XZJHWRHTSA-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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1