General Information of the Compound
| Compound ID |
CP0411601
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| Compound Name |
CHEMBL3238239
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| Formula |
C36H47Cl2N3O4
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| Molecular Weight |
656.695
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| Canonical SMILES |
C[C@@H](CC(O)=O)NC(=O)c1ccc(cc1)[C@@H](CCC(C)(C)C)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/C36H47Cl2N3O4/c1-22(18-30(42)43)39-32(44)24-10-8-23(9-11-24)29(14-15-34(2,3)4)41-33(45)31(25-19-27(37)21-28(38)20-25)40-36(41)16-12-26(13-17-36)35(5,6)7/h8-11,19-22,26,29H,12-18H2,1-7H3,(H,39,44)(H,42,43)/t22-,26-,29+,36-/m0/s1
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| InChIKey |
FKLMGSIRRLOLAI-DKSWOAJGSA-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