General Information of the Compound
| Compound ID |
CP0568053
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| Compound Name |
methyl 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 |
C22H26N4O4S2
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| Molecular Weight |
474.608
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| Canonical SMILES |
COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C2CC2)cc1
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| InChI |
InChI=1S/C22H26N4O4S2/c1-14(2)12-18-24-19(21(31-18)32(28,29)25-22(27)30-3)16-6-4-15(5-7-16)13-26-11-10-23-20(26)17-8-9-17/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,25,27)
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| InChIKey |
CELPYMNIHDSYFN-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