General Information of the Compound
| Compound ID |
CP0488512
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| Compound Name |
CHEMBL3237917
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| Formula |
C29H33Cl2N7O2
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| Molecular Weight |
582.536
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| Canonical SMILES |
C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nnn[nH]1
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| InChI |
InChI=1S/C29H33Cl2N7O2/c1-17(18-5-7-19(8-6-18)26(39)32-16-24-34-36-37-35-24)38-27(40)25(20-13-22(30)15-23(31)14-20)33-29(38)11-9-21(10-12-29)28(2,3)4/h5-8,13-15,17,21H,9-12,16H2,1-4H3,(H,32,39)(H,34,35,36,37)/t17-,21-,29-/m1/s1
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| InChIKey |
PNKQRDZEXXNSKU-OQRJMNFJSA-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