General Information of the Compound
| Compound ID |
CP0569040
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| Compound Name |
methyl 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 |
C26H31N5O4S2
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| Molecular Weight |
541.699
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| Canonical SMILES |
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1nc(CC(C)C)sc1S(=O)(=O)NC(=O)OC
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| InChI |
InChI=1S/C26H31N5O4S2/c1-7-20-28-22-16(4)13-17(5)27-24(22)31(20)14-18-8-10-19(11-9-18)23-25(36-21(29-23)12-15(2)3)37(33,34)30-26(32)35-6/h8-11,13,15H,7,12,14H2,1-6H3,(H,30,32)
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| InChIKey |
BCRFNQVGQZHLQD-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