General Information of the Compound
| Compound ID |
CP0570819
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| Compound Name |
methyl N-[[2-propyl-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 |
C21H21N5O4S3
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| Molecular Weight |
503.631
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| Canonical SMILES |
CCCc1nc(c(s1)S(=O)(=O)NC(=O)OC)-c1ccc(Cn2ccnc2-c2nccs2)cc1
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| InChI |
InChI=1S/C21H21N5O4S3/c1-3-4-16-24-17(20(32-16)33(28,29)25-21(27)30-2)15-7-5-14(6-8-15)13-26-11-9-22-18(26)19-23-10-12-31-19/h5-12H,3-4,13H2,1-2H3,(H,25,27)
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| InChIKey |
YQMKJECORNGYGU-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