General Information of the Compound
| Compound ID |
CP0547270
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| Compound Name |
aminothiazole, 14
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| Structure |
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| Formula |
C34H39N3O3S
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| Molecular Weight |
569.771
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C34H39N3O3S/c1-33(2,3)26-13-11-24(12-14-26)29-22-41-32(36-29)37(28-17-15-27(16-18-28)34(4,5)6)21-23-7-9-25(10-8-23)31(40)35-20-19-30(38)39/h7-18,22H,19-21H2,1-6H3,(H,35,40)(H,38,39)
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| InChIKey |
XKENBIHIHWFSFY-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