General Information of the Compound
| Compound ID |
CP0567945
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| Compound Name |
4,4,4-trifluorobutyl N-[[4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-propyl-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C28H32F3N5O4S2
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| Molecular Weight |
623.723
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| Canonical SMILES |
CCCc1nc(c(s1)S(=O)(=O)NC(=O)OCCCC(F)(F)F)-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
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| InChI |
InChI=1S/C28H32F3N5O4S2/c1-5-8-22-34-24(26(41-22)42(38,39)35-27(37)40-14-7-13-28(29,30)31)20-11-9-19(10-12-20)16-36-21(6-2)33-23-17(3)15-18(4)32-25(23)36/h9-12,15H,5-8,13-14,16H2,1-4H3,(H,35,37)
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| InChIKey |
BFEDDILOHSOJLA-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