General Information of the Compound
| Compound ID |
CP0435234
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| Compound Name |
aminothiazole, 1
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| Structure |
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| Formula |
C32H31N3O3S
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| Molecular Weight |
537.685
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccccc2)c2ccc(cc2)C2=CCCCC2)cc1
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| InChI |
InChI=1S/C32H31N3O3S/c36-30(37)19-20-33-31(38)27-13-11-23(12-14-27)21-35(32-34-29(22-39-32)26-9-5-2-6-10-26)28-17-15-25(16-18-28)24-7-3-1-4-8-24/h2,5-7,9-18,22H,1,3-4,8,19-21H2,(H,33,38)(H,36,37)
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| InChIKey |
SLYYRVVPLWMNPO-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