General Information of the Compound
Compound ID |
CP0374471
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Compound Name |
aminothiazole, 13
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Structure |
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Formula |
C32H29F6N3O3S
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Molecular Weight |
649.657
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Canonical SMILES |
CC(C)c1ccc(cc1C)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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InChI |
InChI=1S/C32H29F6N3O3S/c1-18(2)26-9-8-25(12-19(26)3)41(16-20-4-6-21(7-5-20)29(44)39-11-10-28(42)43)30-40-27(17-45-30)22-13-23(31(33,34)35)15-24(14-22)32(36,37)38/h4-9,12-15,17-18H,10-11,16H2,1-3H3,(H,39,44)(H,42,43)
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InChIKey |
FDAPJZJLEIYQAN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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