General Information of the Compound
| Compound ID |
CP0495973
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| Compound Name |
thiazole, 30
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| Structure |
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| Formula |
C29H22F6N2O5S
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| Molecular Weight |
624.559
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| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(OC(F)(F)F)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C29H22F6N2O5S/c30-28(31,32)20-9-5-18(6-10-20)23-15-43-26(37-23)22(17-7-11-21(12-8-17)42-29(33,34)35)13-16-1-3-19(4-2-16)25(39)36-14-24(38)27(40)41/h1-12,15,22,24,38H,13-14H2,(H,36,39)(H,40,41)/t22?,24-/m1/s1
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| InChIKey |
NGUABMKOSJANPJ-SYIFMXBLSA-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