General Information of the Compound
| Compound ID |
CP0540263
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| Compound Name |
US8633231, 2
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| Structure |
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| Formula |
C27H31Cl2N7O2
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| Molecular Weight |
556.498
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| Canonical SMILES |
CC(C)(C)CC[C@@H](N1C(=O)C(=NC1(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nnn[nH]1
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| InChI |
InChI=1S/C27H31Cl2N7O2/c1-26(2,3)11-10-21(16-6-8-17(9-7-16)24(37)30-15-22-32-34-35-33-22)36-25(38)23(31-27(36,4)5)18-12-19(28)14-20(29)13-18/h6-9,12-14,21H,10-11,15H2,1-5H3,(H,30,37)(H,32,33,34,35)/t21-/m1/s1
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| InChIKey |
JXEGEOADVWSIAV-OAQYLSRUSA-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