General Information of the Compound
| Compound ID |
CP0551729
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| Compound Name |
butyl N-[[4-[4-[(2-cyclopropylimidazol-1-yl)methyl]phenyl]-2-propyl-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C24H30N4O4S2
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| Molecular Weight |
502.662
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2C2CC2)cc1
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| InChI |
InChI=1S/C24H30N4O4S2/c1-3-5-15-32-24(29)27-34(30,31)23-21(26-20(33-23)6-4-2)18-9-7-17(8-10-18)16-28-14-13-25-22(28)19-11-12-19/h7-10,13-14,19H,3-6,11-12,15-16H2,1-2H3,(H,27,29)
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| InChIKey |
XAMPSDSVTSVDNL-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