General Information of the Compound
| Compound ID |
CP0445452
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| Compound Name |
aminothiazole, 15
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| Structure |
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| Formula |
C30H27Cl2N3O3S
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| Molecular Weight |
580.537
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C2CCCc3ccccc23)c2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C30H27Cl2N3O3S/c31-24-13-12-22(16-25(24)32)26-18-39-30(34-26)35(27-7-3-5-20-4-1-2-6-23(20)27)17-19-8-10-21(11-9-19)29(38)33-15-14-28(36)37/h1-2,4,6,8-13,16,18,27H,3,5,7,14-15,17H2,(H,33,38)(H,36,37)
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| InChIKey |
RFXQGXOPDUTHKY-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