General Information of the Compound
| Compound ID |
CP0894513
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| Compound Name |
(3S,3aR)-ethyl 3-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxoethyl)-1-(naphthalen-1-ylmethyl)-2-oxo-2,3,3a,4,5,6,7,8-octahydro-1H-cycloocta[b]pyrrole-3a-carboxylate
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| Structure |
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| Formula |
C35H39N3O6
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| Molecular Weight |
597.712
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| Canonical SMILES |
CCOC(=O)[C@@]12CCCCC/C=C\1N(Cc1cccc3ccccc13)C(=O)[C@H]2CC(=O)N1CCN(C(=O)c2ccco2)CC1
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| InChI |
InChI=1S/C35H39N3O6/c1-2-43-34(42)35-17-8-4-3-5-16-30(35)38(24-26-13-9-12-25-11-6-7-14-27(25)26)32(40)28(35)23-31(39)36-18-20-37(21-19-36)33(41)29-15-10-22-44-29/h6-7,9-16,22,28H,2-5,8,17-21,23-24H2,1H3/b30-16+/t28-,35-/m1/s1
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| InChIKey |
FDSBKDBYCLRKTL-AGCJQPHOSA-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