General Information of the Compound
| Compound ID |
CP0551728
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| Compound Name |
butyl N-[[4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-(2-methylpropyl)-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C29H37N5O4S2
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| Molecular Weight |
583.78
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
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| InChI |
InChI=1S/C29H37N5O4S2/c1-7-9-14-38-29(35)33-40(36,37)28-26(32-24(39-28)15-18(3)4)22-12-10-21(11-13-22)17-34-23(8-2)31-25-19(5)16-20(6)30-27(25)34/h10-13,16,18H,7-9,14-15,17H2,1-6H3,(H,33,35)
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| InChIKey |
ZQCJVWMIJVNZDT-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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT01553, Type-2 angiotensin II receptor