General Information of the Compound
| Compound ID |
CP0374454
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| Compound Name |
aminothiazole, 21
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| Structure |
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| Formula |
C28H21F6N3O3S2
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| Molecular Weight |
625.616
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(SC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C28H21F6N3O3S2/c29-27(30,31)20-7-5-18(6-8-20)23-16-41-26(36-23)37(21-9-11-22(12-10-21)42-28(32,33)34)15-17-1-3-19(4-2-17)25(40)35-14-13-24(38)39/h1-12,16H,13-15H2,(H,35,40)(H,38,39)
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| InChIKey |
XKURAAGCCZEBHF-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