General Information of the Compound
| Compound ID |
CP0415751
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| Compound Name |
CHEMBL3237899
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| Formula |
C31H37Cl2N3O4
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| Molecular Weight |
586.56
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| Canonical SMILES |
CC(Cc1ccc(cc1)C(=O)NCCC(O)=O)N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H37Cl2N3O4/c1-19(15-20-5-7-21(8-6-20)28(39)34-14-11-26(37)38)36-29(40)27(22-16-24(32)18-25(33)17-22)35-31(36)12-9-23(10-13-31)30(2,3)4/h5-8,16-19,23H,9-15H2,1-4H3,(H,34,39)(H,37,38)/t19?,23-,31-
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| InChIKey |
IYEJXDBLROXAKV-KFFHQAPZSA-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: PT01473, Glucagon receptor
Protein ID: PT01356, Glucagon-like peptide 1 receptor