General Information of the Compound
| Compound ID |
CP0443414
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| Compound Name |
aminothiazole, 3
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| Structure |
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| Formula |
C33H30F3N3O4S
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| Molecular Weight |
621.681
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc(cc2)C2=CCCCC2)cc1
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| InChI |
InChI=1S/C33H30F3N3O4S/c34-33(35,36)43-28-16-12-25(13-17-28)29-21-44-32(38-29)39(27-14-10-24(11-15-27)23-4-2-1-3-5-23)20-22-6-8-26(9-7-22)31(42)37-19-18-30(40)41/h4,6-17,21H,1-3,5,18-20H2,(H,37,42)(H,40,41)
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| InChIKey |
OUZOYODGROMRMW-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