General Information of the Compound
| Compound ID |
CP0515022
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| Compound Name |
methyl N-[3-[3-[2-(2-tert-butylimidazol-1-yl)acetyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Formula |
C25H31N3O5S2
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| Molecular Weight |
517.673
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| Canonical SMILES |
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
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| InChI |
InChI=1S/C25H31N3O5S2/c1-16(2)12-19-14-20(22(34-19)35(31,32)27-24(30)33-6)17-8-7-9-18(13-17)21(29)15-28-11-10-26-23(28)25(3,4)5/h7-11,13-14,16H,12,15H2,1-6H3,(H,27,30)
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| InChIKey |
SPDXVIKELDWSMA-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