General Information of the Compound
| Compound ID |
CP0374468
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| Compound Name |
aminothiazole, 5
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| Structure |
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| Formula |
C38H34ClN3O3S
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| Molecular Weight |
648.228
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(c(s2)-c2ccccc2)-c2ccc(Cl)cc2)c2ccc(cc2)C2=CCCCC2)cc1
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| InChI |
InChI=1S/C38H34ClN3O3S/c39-32-19-15-29(16-20-32)35-36(30-9-5-2-6-10-30)46-38(41-35)42(33-21-17-28(18-22-33)27-7-3-1-4-8-27)25-26-11-13-31(14-12-26)37(45)40-24-23-34(43)44/h2,5-7,9-22H,1,3-4,8,23-25H2,(H,40,45)(H,43,44)
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| InChIKey |
FTBIQPJNXCTJIU-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