General Information of the Compound
| Compound ID |
CP0372626
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| Compound Name |
CHEMBL1644178
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| Formula |
C29H32F3N7O2
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| Molecular Weight |
567.616
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)c1cc(nn1Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H32F3N7O2/c1-28(2,3)22-12-8-20(9-13-22)25-16-24(19-10-14-23(15-11-19)41-29(30,31)32)36-39(25)17-18-4-6-21(7-5-18)26(40)33-27-34-37-38-35-27/h4-7,10-11,14-16,20,22H,8-9,12-13,17H2,1-3H3,(H2,33,34,35,37,38,40)/t20-,22-
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| InChIKey |
HDEDHPBSKOEMPW-AQYVVDRMSA-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor