General Information of the Compound
| Compound ID |
CP0443412
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| Compound Name |
aminothiazole, 12
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| Structure |
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| Formula |
C31H30F3N3O3S
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| Molecular Weight |
581.66
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| Canonical SMILES |
CC(C)c1ccc(cc1C)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H30F3N3O3S/c1-19(2)26-13-12-25(16-20(26)3)37(17-21-4-6-23(7-5-21)29(40)35-15-14-28(38)39)30-36-27(18-41-30)22-8-10-24(11-9-22)31(32,33)34/h4-13,16,18-19H,14-15,17H2,1-3H3,(H,35,40)(H,38,39)
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| InChIKey |
MYYKZRMEYNXGOG-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