General Information of the Compound
| Compound ID |
CP0395570
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| Compound Name |
CHEMBL3238244
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| Formula |
C35H45Cl2N7O2
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| Molecular Weight |
666.698
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| Canonical SMILES |
C[C@H](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)c1nnn[nH]1
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| InChI |
InChI=1S/C35H45Cl2N7O2/c1-21(30-40-42-43-41-30)38-31(45)23-10-8-22(9-11-23)28(14-15-33(2,3)4)44-32(46)29(24-18-26(36)20-27(37)19-24)39-35(44)16-12-25(13-17-35)34(5,6)7/h8-11,18-21,25,28H,12-17H2,1-7H3,(H,38,45)(H,40,41,42,43)/t21-,25-,28+,35-/m0/s1
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| InChIKey |
SSFDSCROUPZZIQ-ZMEZJGNESA-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