General Information of the Compound
| Compound ID |
CP0485225
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| Compound Name |
aminothiazole, 23
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| Structure |
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| Formula |
C30H26F3N3O4S
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| Molecular Weight |
581.616
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc3CCCc3c2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H26F3N3O4S/c31-30(32,33)23-11-8-20(9-12-23)25-17-41-29(35-25)36(24-13-10-19-2-1-3-22(19)14-24)16-18-4-6-21(7-5-18)27(38)34-15-26(37)28(39)40/h4-14,17,26,37H,1-3,15-16H2,(H,34,38)(H,39,40)/t26-/m1/s1
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| InChIKey |
DRIDAQWKYRIGBG-AREMUKBSSA-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