General Information of the Compound
| Compound ID |
CP0569050
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| Compound Name |
methyl N-[[2-(2-methylpropyl)-4-[4-[[2-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]phenyl]-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C22H23N5O4S3
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| Molecular Weight |
517.658
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| Canonical SMILES |
COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2-c2nccs2)cc1
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| InChI |
InChI=1S/C22H23N5O4S3/c1-14(2)12-17-25-18(21(33-17)34(29,30)26-22(28)31-3)16-6-4-15(5-7-16)13-27-10-8-23-19(27)20-24-9-11-32-20/h4-11,14H,12-13H2,1-3H3,(H,26,28)
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| InChIKey |
FXJXLXZFYKGARW-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