General Information of the Compound
| Compound ID |
CP0419923
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| Compound Name |
CHEMBL3237906
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| Formula |
C30H36ClN3O4
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| Molecular Weight |
538.088
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| Canonical SMILES |
C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C30H36ClN3O4/c1-19(20-8-10-21(11-9-20)27(37)32-17-14-25(35)36)34-28(38)26(22-6-5-7-24(31)18-22)33-30(34)15-12-23(13-16-30)29(2,3)4/h5-11,18-19,23H,12-17H2,1-4H3,(H,32,37)(H,35,36)/t19-,23-,30-/m1/s1
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| InChIKey |
LAYAAHDGXMINNI-DZJGSNNOSA-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