General Information of the Compound
| Compound ID |
CP0562684
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| Compound Name |
butyl N-[[4-[4-[(2-cyclopropylimidazol-1-yl)methyl]phenyl]-2-(2-methylpropyl)-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C25H32N4O4S2
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| Molecular Weight |
516.689
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C2CC2)cc1
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| InChI |
InChI=1S/C25H32N4O4S2/c1-4-5-14-33-25(30)28-35(31,32)24-22(27-21(34-24)15-17(2)3)19-8-6-18(7-9-19)16-29-13-12-26-23(29)20-10-11-20/h6-9,12-13,17,20H,4-5,10-11,14-16H2,1-3H3,(H,28,30)
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| InChIKey |
YWYMVVYXLDZWNY-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