General Information of the Compound
| Compound ID |
CP0475021
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| Compound Name |
aminothiazole, 16
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| Structure |
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| Formula |
C27H21ClF3N3O3S
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| Molecular Weight |
559.997
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C27H21ClF3N3O3S/c28-21-9-11-22(12-10-21)34(15-17-1-3-19(4-2-17)25(37)32-14-13-24(35)36)26-33-23(16-38-26)18-5-7-20(8-6-18)27(29,30)31/h1-12,16H,13-15H2,(H,32,37)(H,35,36)
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| InChIKey |
KOVJJWYJLGKJAI-UHFFFAOYSA-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