General Information of the Compound
| Compound ID |
CP0485224
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| Compound Name |
aminothiazole, 9
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| Structure |
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| Formula |
C29H25Cl2N3O3S
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| Molecular Weight |
566.51
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c2ccc3CCCc3c2)cc1
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| InChI |
InChI=1S/C29H25Cl2N3O3S/c30-24-11-9-22(15-25(24)31)26-17-38-29(33-26)34(23-10-8-19-2-1-3-21(19)14-23)16-18-4-6-20(7-5-18)28(37)32-13-12-27(35)36/h4-11,14-15,17H,1-3,12-13,16H2,(H,32,37)(H,35,36)
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| InChIKey |
MDDANNKYTHKAHR-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